(phenylmethyl) 3-(1H-indol-3-yl)-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-(1H-indol-3-yl)-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxycarbonylamino]propanoate Openeye Name: benzyl 3-(1H-indol-3-yl)-2-[(4-isopropenylcyclohexen-1-yl)methoxycarbonylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[[4-(1-methylethenyl)-1-cyclohexenyl]methoxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(1H-indol-3-yl)-2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxycarbonylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(4-isopropenylcyclohexen-1-yl)methoxycarbonylamino]propionic acid benzyl ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=C)C1CCC(=CC1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c1-20(2)23-14-12-22(13-15-23)19-35-29(33)31-27(28(32)34-18-21-8-4-3-5-9-21)16-24-17-30-26-11-7-6-10-25(24)26/h3-12,17,23,27,30H,1,13-16,18-19H2,2H3,(H,31,33)