N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[o-tolylmethyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylphenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(2-methylbenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C31H44N4O2 MolecularWeight: 504.70666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C)C(=O)NCC4CCCC(C4)CN

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C)C(=O)NCC4CCCC(C4)CN

InChI

InChI=1S/C31H44N4O2/c1-23-9-6-7-14-28(23)21-34(16-15-25-10-4-3-5-11-25)29-18-30(35(22-29)24(2)36)31(37)33-20-27-13-8-12-26(17-27)19-32/h3-7,9-11,14,26-27,29-30H,8,12-13,15-22,32H2,1-2H3,(H,33,37)