4-[3-[2,4-bis(oxidanylidene)-5,6,7,7a-tetrahydroindol-1-yl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[2,4-bis(oxidanylidene)-5,6,7,7a-tetrahydroindol-1-yl]propanoylamino]benzoic acid Openeye Name: 4-[3-(2,4-dioxo-5,6,7,7a-tetrahydroindol-1-yl)propanoylamino]benzoic acid CAS Name: 4-[[3-(2,4-dioxo-5,6,7,7a-tetrahydroindol-1-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(2,4-dioxo-5,6,7,7a-tetrahydroindol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(2,4-diketo-5,6,7,7a-tetrahydroindol-1-yl)propanoylamino]benzoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=CC(=O)N2CCC(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C1

Isomeric SMILES

C1CC2C(=CC(=O)N2CCC(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C1

InChI

InChI=1S/C18H18N2O5/c21-15-3-1-2-14-13(15)10-17(23)20(14)9-8-16(22)19-12-6-4-11(5-7-12)18(24)25/h4-7,10,14H,1-3,8-9H2,(H,19,22)(H,24,25)