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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-methoxybenzoyl)-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[(4-methoxyphenyl)-oxomethyl]-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[(4-methoxybenzoyl)-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-nicotinoyl-4-[p-anisoyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C35H43N5O4 MolecularWeight: 597.74702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4=CN=CC=C4)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C35H43N5O4/c1-44-31-14-12-28(13-15-31)34(42)39(18-16-25-7-3-2-4-8-25)30-20-32(40(24-30)35(43)29-11-6-17-37-23-29)33(41)38-22-27-10-5-9-26(19-27)21-36/h2-4,6-8,11-15,17,23,26-27,30,32H,5,9-10,16,18-22,24,36H2,1H3,(H,38,41)