2-methyl-4-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]-2-phenyl-butanoic acid

Systemtic Name: 2-methyl-4-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enyl-amino]piperidin-1-yl]-2-phenyl-butanoic acid Openeye Name: 4-[4-[allyl-[(4-nitrophenyl)methoxycarbonyl]amino]-1-piperidyl]-2-methyl-2-phenyl-butanoic acid CAS Name: 2-methyl-4-[4-[[(4-nitrophenyl)methoxy-oxomethyl]-prop-2-enylamino]-1-piperidinyl]-2-phenylbutanoic acid IUPAC Name: 2-methyl-4-[4-[(4-nitrophenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]-2-phenylbutanoic acid Traditional Name: 4-[4-[allyl-(4-nitrobenzyl)oxycarbonyl-amino]piperidino]-2-methyl-2-phenyl-butyric acid Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H33N3O6/c1-3-16-29(26(33)36-20-21-9-11-24(12-10-21)30(34)35)23-13-17-28(18-14-23)19-15-27(2,25(31)32)22-7-5-4-6-8-22/h3-12,23H,1,13-20H2,2H3,(H,31,32)