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

Systemtic Name: 4-[3-(4-oxidanylidene-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(4-oxo-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoic acid CAS Name: 4-[[1-oxo-3-(4-oxo-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propyl]amino]benzoic acid IUPAC Name: 4-[3-(4-oxo-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(4-keto-5,6,7,7a-tetrahydro-3aH-indol-1-yl)propanoylamino]benzoic acid Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C=CN2CCC(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C1

Isomeric SMILES

C1CC2C(C=CN2CCC(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)C1

InChI

InChI=1S/C18H20N2O4/c21-16-3-1-2-15-14(16)8-10-20(15)11-9-17(22)19-13-6-4-12(5-7-13)18(23)24/h4-8,10,14-15H,1-3,9,11H2,(H,19,22)(H,23,24)