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

Systemtic Name: (2R)-N-(2-azanylethyl)-1-(4-methylphenyl)carbonyl-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethyl-amino]piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-1-[(4-methylphenyl)-oxomethyl]-4-[(4-nitrophenyl)methyl-phenethylamino]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-1-(4-methylbenzoyl)-4-[(4-nitrophenyl)methyl-phenethylamino]piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(4-nitrobenzyl)-phenethyl-amino]-1-p-toluoyl-pipecolinamide Formula: C31H37N5O4 MolecularWeight: 543.65658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2C(=O)NCCN)N(CCC3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=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/C31H37N5O4/c1-23-7-11-26(12-8-23)31(38)35-20-16-28(21-29(35)30(37)33-18-17-32)34(19-15-24-5-3-2-4-6-24)22-25-9-13-27(14-10-25)36(39)40/h2-14,28-29H,15-22,32H2,1H3,(H,33,37)/t28?,29-/m1/s1