methyl 3-(phenylmethoxycarbonylamino)-2-[1-(phenylmethyl)indol-3-yl]propanoate

Systemtic Name: methyl 3-(phenylmethoxycarbonylamino)-2-[1-(phenylmethyl)indol-3-yl]propanoate Openeye Name: methyl 2-(1-benzylindol-3-yl)-3-(benzyloxycarbonylamino)propanoate CAS Name: 3-(phenylmethoxycarbonylamino)-2-[1-(phenylmethyl)-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(1-benzylindol-3-yl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(1-benzylindol-3-yl)-3-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNC(=O)OCC1=CC=CC=C1)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CNC(=O)OCC1=CC=CC=C1)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4

InChI

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