[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propionic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C31H34N2O5 MolecularWeight: 514.61206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H34N2O5/c1-37-24-8-6-22(7-9-24)28(34)18-38-29(35)27(13-23-17-32-26-5-3-2-4-25(23)26)33-30(36)31-14-19-10-20(15-31)12-21(11-19)16-31/h2-9,17,19-21,27,32H,10-16,18H2,1H3,(H,33,36)