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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-ethanoyl-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-methoxybenzoyl)-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[(4-methoxyphenyl)-oxomethyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-methoxybenzoyl)-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[p-anisoyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C31H42N4O4 MolecularWeight: 534.68958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H42N4O4/c1-22(36)35-21-27(18-29(35)30(37)33-20-25-10-6-9-24(17-25)19-32)34(16-15-23-7-4-3-5-8-23)31(38)26-11-13-28(39-2)14-12-26/h3-5,7-8,11-14,24-25,27,29H,6,9-10,15-21,32H2,1-2H3,(H,33,37)