(phenylmethyl) 3-(1H-indol-3-yl)-2-[2-(4-methylcyclohex-3-en-1-yl)propoxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[2-(4-methylcyclohex-3-en-1-yl)propoxycarbonylamino]propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-[2-(4-methylcyclohex-3-en-1-yl)propoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[2-(4-methyl-1-cyclohex-3-enyl)propoxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[2-(4-methylcyclohex-3-en-1-yl)propoxycarbonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[2-(4-methylcyclohex-3-en-1-yl)propoxycarbonylamino]propionic acid benzyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O4/c1-20-12-14-23(15-13-20)21(2)18-35-29(33)31-27(28(32)34-19-22-8-4-3-5-9-22)16-24-17-30-26-11-7-6-10-25(24)26/h3-12,17,21,23,27,30H,13-16,18-19H2,1-2H3,(H,31,33)