(phenylmethyl) 2-[4-(4-nitrophenyl)butoxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[4-(4-nitrophenyl)butoxycarbonylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[4-(4-nitrophenyl)butoxycarbonylamino]-3-phenyl-propanoate CAS Name: 2-[[4-(4-nitrophenyl)butoxy-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(4-nitrophenyl)butoxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-[4-(4-nitrophenyl)butoxycarbonylamino]-3-phenyl-propionic acid benzyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCCCCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCCCCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O6/c30-26(35-20-23-12-5-2-6-13-23)25(19-22-10-3-1-4-11-22)28-27(31)34-18-8-7-9-21-14-16-24(17-15-21)29(32)33/h1-6,10-17,25H,7-9,18-20H2,(H,28,31)