3-[(2-carboxy-1H-indol-3-yl)-(4-dimethylaminophenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-dimethylaminophenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-dimethylaminophenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-dimethylaminophenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-dimethylaminophenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-dimethylaminophenyl)methyl]-1H-indole-2-carboxylic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H23N3O4/c1-30(2)16-13-11-15(12-14-16)21(22-17-7-3-5-9-19(17)28-24(22)26(31)32)23-18-8-4-6-10-20(18)29-25(23)27(33)34/h3-14,21,28-29H,1-2H3,(H,31,32)(H,33,34)