methyl 4-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoate

Systemtic Name: methyl 4-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoate Openeye Name: methyl 4-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]benzoate CAS Name: 4-[3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]benzoate Traditional Name: 4-[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]benzoic acid methyl ester Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5/c1-33-26(31)20-13-11-19(12-14-20)25(30)24(15-21-16-28-23-10-6-5-9-22(21)23)29-27(32)34-17-18-7-3-2-4-8-18/h2-14,16,24,28H,15,17H2,1H3,(H,29,32)