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

Systemtic Name: N-(2-azanylethyl)-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[(4-methoxybenzoyl)-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[[(4-methoxyphenyl)-oxomethyl]-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[(4-methoxybenzoyl)-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-nicotinoyl-4-[p-anisoyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C29H33N5O4 MolecularWeight: 515.60342

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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)NCCN

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)NCCN

InChI

InChI=1S/C29H33N5O4/c1-38-25-11-9-22(10-12-25)28(36)33(17-13-21-6-3-2-4-7-21)24-18-26(27(35)32-16-14-30)34(20-24)29(37)23-8-5-15-31-19-23/h2-12,15,19,24,26H,13-14,16-18,20,30H2,1H3,(H,32,35)