methyl N-[2-[1-[4-[(3-cyanonaphthalen-1-yl)carbonyl-methyl-amino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]phenyl]carbamate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: methyl N-[2-[1-[4-[(3-cyanonaphthalen-1-yl)carbonyl-methyl-amino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]phenyl]carbamate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: methyl N-[2-[1-[4-[(3-cyanonaphthalene-1-carbonyl)-methyl-amino]-3-(3,4-dichlorophenyl)butyl]-4-piperidyl]phenyl]carbamate citrate CAS Name: N-[2-[1-[4-[[(3-cyano-1-naphthalenyl)-oxomethyl]-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-piperidinyl]phenyl]carbamic acid methyl ester; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; methyl N-[2-[1-[4-[(3-cyanonaphthalene-1-carbonyl)-methylamino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]phenyl]carbamate Traditional Name: N-[2-[1-[4-[(3-cyano-1-naphthoyl)-methyl-amino]-3-(3,4-dichlorophenyl)butyl]-4-piperidyl]phenyl]carbamic acid methyl ester citrate Formula: C42H41Cl2N4O10-3 MolecularWeight: 832.70174

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2NC(=O)OC)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2NC(=O)OC)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C36H36Cl2N4O3.C6H8O7/c1-41(35(43)31-20-24(22-39)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(37)33(38)21-26)15-18-42-16-13-25(14-17-42)30-9-5-6-10-34(30)40-36(44)45-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,19-21,25,28H,13-18,23H2,1-2H3,(H,40,44);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3