1-butyl-2-[(2-cyanoindol-1-yl)-phenyl-methyl]indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenyl-methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenyl-methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[(2-cyano-1-indolyl)-phenylmethyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenylmethyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[(2-cyanoindol-1-yl)-phenyl-methyl]indole-3-carboxylic acid Formula: C29H25N3O2 MolecularWeight: 447.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)N4C5=CC=CC=C5C=C4C#N)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)N4C5=CC=CC=C5C=C4C#N)C(=O)O

InChI

InChI=1S/C29H25N3O2/c1-2-3-17-31-25-16-10-8-14-23(25)26(29(33)34)28(31)27(20-11-5-4-6-12-20)32-22(19-30)18-21-13-7-9-15-24(21)32/h4-16,18,27H,2-3,17H2,1H3,(H,33,34)