(4-methylphenyl)methyl 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (4-methylphenyl)methyl 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: p-tolylmethyl 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (4-methylbenzyl) ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-19-11-13-21(14-12-19)17-32-26(30)25(15-22-16-28-24-10-6-5-9-23(22)24)29-27(31)33-18-20-7-3-2-4-8-20/h2-14,16,25,28H,15,17-18H2,1H3,(H,29,31)