(2R)-N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-1-(3-methoxyphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[(3-methoxyphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(3-methoxybenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-1-m-anisoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pipecolinamide Formula: C31H37N5O5 MolecularWeight: 559.65598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCC(C[C@@H]2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H37N5O5/c1-41-28-9-5-8-25(20-28)31(38)35-19-15-27(21-29(35)30(37)33-17-16-32)34(18-14-23-6-3-2-4-7-23)22-24-10-12-26(13-11-24)36(39)40/h2-13,20,27,29H,14-19,21-22,32H2,1H3,(H,33,37)/t27?,29-/m1/s1