ethyl 4-[3-(4-oxidanylidene-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(4-oxidanylidene-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(4-oxo-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(4-oxo-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-oxo-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoic acid ethyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=CC3C2CCCC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=CC3C2CCCC3=O

InChI

InChI=1S/C20H24N2O4/c1-2-26-20(25)14-6-8-15(9-7-14)21-19(24)11-13-22-12-10-16-17(22)4-3-5-18(16)23/h6-10,12,16-17H,2-5,11,13H2,1H3,(H,21,24)