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

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-allyloxyphenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(4-allyloxyphenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Formula: C28H22N2O5 MolecularWeight: 466.48468

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=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

C=CCOC1=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/C28H22N2O5/c1-2-15-35-17-13-11-16(12-14-17)22(23-18-7-3-5-9-20(18)29-25(23)27(31)32)24-19-8-4-6-10-21(19)30-26(24)28(33)34/h2-14,22,29-30H,1,15H2,(H,31,32)(H,33,34)