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

Systemtic Name: 1-butyl-2-[(2-cyanothiophen-3-yl)-phenyl-methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[(2-cyano-3-thiophenyl)-phenylmethyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[(2-cyanothiophen-3-yl)-phenylmethyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[(2-cyano-3-thienyl)-phenyl-methyl]indole-3-carboxylic acid Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)C4=C(SC=C4)C#N)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)C4=C(SC=C4)C#N)C(=O)O

InChI

InChI=1S/C25H22N2O2S/c1-2-3-14-27-20-12-8-7-11-18(20)23(25(28)29)24(27)22(17-9-5-4-6-10-17)19-13-15-30-21(19)16-26/h4-13,15,22H,2-3,14H2,1H3,(H,28,29)