methyl 2-[1-[4-[(3-cyanonaphthalen-1-yl)carbonyl-methyl-amino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]benzoate

Systemtic Name: methyl 2-[1-[4-[(3-cyanonaphthalen-1-yl)carbonyl-methyl-amino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]benzoate Openeye Name: methyl 2-[1-[4-[(3-cyanonaphthalene-1-carbonyl)-methyl-amino]-3-(3,4-dichlorophenyl)butyl]-4-piperidyl]benzoate CAS Name: 2-[1-[4-[[(3-cyano-1-naphthalenyl)-oxomethyl]-methylamino]-3-(3,4-dichlorophenyl)butyl]-4-piperidinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[4-[(3-cyanonaphthalene-1-carbonyl)-methylamino]-3-(3,4-dichlorophenyl)butyl]piperidin-4-yl]benzoate Traditional Name: 2-[1-[4-[(3-cyano-1-naphthoyl)-methyl-amino]-3-(3,4-dichlorophenyl)butyl]-4-piperidyl]benzoic acid methyl ester Formula: C36H35Cl2N3O3 MolecularWeight: 628.5874

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2C(=O)OC)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N

Isomeric SMILES

CN(CC(CCN1CCC(CC1)C2=CC=CC=C2C(=O)OC)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC(=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C36H35Cl2N3O3/c1-40(35(42)32-20-24(22-39)19-27-7-3-4-9-30(27)32)23-28(26-11-12-33(37)34(38)21-26)15-18-41-16-13-25(14-17-41)29-8-5-6-10-31(29)36(43)44-2/h3-12,19-21,25,28H,13-18,23H2,1-2H3