3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid Openeye Name: 3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid CAS Name: 3-[[3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]-1H-indole-2-carboxylic acid Traditional Name: 3-[[3-(3,4-dimethoxyphenyl)acryloyl]amino]-1H-indole-2-carboxylic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(NC3=CC=CC=C32)C(=O)O)OC

InChI

InChI=1S/C20H18N2O5/c1-26-15-9-7-12(11-16(15)27-2)8-10-17(23)22-18-13-5-3-4-6-14(13)21-19(18)20(24)25/h3-11,21H,1-2H3,(H,22,23)(H,24,25)