2-[3-(8-methoxy-5-methyl-6-oxidanylidene-phenanthridin-3-yl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(8-methoxy-5-methyl-6-oxidanylidene-phenanthridin-3-yl)propanoylamino]benzoic acid Openeye Name: 2-[3-(8-methoxy-5-methyl-6-oxo-phenanthridin-3-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(8-methoxy-5-methyl-6-oxo-3-phenanthridinyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(8-methoxy-5-methyl-6-oxophenanthridin-3-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(6-keto-8-methoxy-5-methyl-phenanthridin-3-yl)propanoylamino]benzoic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)CCC(=O)NC3=CC=CC=C3C(=O)O)C4=C(C1=O)C=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C=CC(=C2)CCC(=O)NC3=CC=CC=C3C(=O)O)C4=C(C1=O)C=C(C=C4)OC

InChI

InChI=1S/C25H22N2O5/c1-27-22-13-15(8-12-23(28)26-21-6-4-3-5-19(21)25(30)31)7-10-18(22)17-11-9-16(32-2)14-20(17)24(27)29/h3-7,9-11,13-14H,8,12H2,1-2H3,(H,26,28)(H,30,31)