methyl 2-[3-(6-nitro-2-phenyl-1H-indol-3-yl)propanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[3-(6-nitro-2-phenyl-1H-indol-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[3-(6-nitro-2-phenyl-1H-indol-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 2-[[3-(6-nitro-2-phenyl-1H-indol-3-yl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[3-(6-nitro-2-phenyl-1H-indol-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 2-[3-(6-nitro-2-phenyl-1H-indol-3-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=C(NC3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=C(NC3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5/c1-35-27(32)24(16-18-8-4-2-5-9-18)28-25(31)15-14-22-21-13-12-20(30(33)34)17-23(21)29-26(22)19-10-6-3-7-11-19/h2-13,17,24,29H,14-16H2,1H3,(H,28,31)