1-(1H-indol-5-yl)-3-(4-methoxyphenyl)-5-oxidanyl-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1H-indol-5-yl)-3-(4-methoxyphenyl)-5-oxidanyl-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 5-hydroxy-1-(1H-indol-5-yl)-3-(4-methoxyphenyl)indane-2-carboxylic acid CAS Name: 5-hydroxy-1-(1H-indol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 5-hydroxy-1-(1H-indol-5-yl)-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 5-hydroxy-1-(1H-indol-5-yl)-3-(4-methoxyphenyl)indane-2-carboxylic acid Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(C3=C2C=C(C=C3)O)C4=CC5=C(C=C4)NC=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(C3=C2C=C(C=C3)O)C4=CC5=C(C=C4)NC=C5)C(=O)O

InChI

InChI=1S/C25H21NO4/c1-30-18-6-2-14(3-7-18)22-20-13-17(27)5-8-19(20)23(24(22)25(28)29)16-4-9-21-15(12-16)10-11-26-21/h2-13,22-24,26-27H,1H3,(H,28,29)