3-(4-cyclopropylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-cyclopropylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-cyclopropylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(4-cyclopropylphenyl)-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-cyclopropylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-cyclopropylphenyl)-1-m-anisyl-indole-2-carboxylic acid Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=C(C=C4)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=C(C=C4)C5CC5

InChI

InChI=1S/C26H23NO3/c1-30-21-6-4-5-17(15-21)16-27-23-8-3-2-7-22(23)24(25(27)26(28)29)20-13-11-19(12-14-20)18-9-10-18/h2-8,11-15,18H,9-10,16H2,1H3,(H,28,29)