propan-2-yl 3-[4-[(4-nitrophenyl)amino]butanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[4-[(4-nitrophenyl)amino]butanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[4-(4-nitroanilino)butanoylamino]-3-phenyl-propanoate CAS Name: 3-[[4-(4-nitroanilino)-1-oxobutyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-(4-nitroanilino)butanoylamino]-3-phenylpropanoate Traditional Name: 3-[4-(4-nitroanilino)butanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-16(2)30-22(27)15-20(17-7-4-3-5-8-17)24-21(26)9-6-14-23-18-10-12-19(13-11-18)25(28)29/h3-5,7-8,10-13,16,20,23H,6,9,14-15H2,1-2H3,(H,24,26)