3-[1-(phenylmethyl)indol-3-yl]-3-thiophen-3-yl-propanoic acid

Systemtic Name: 3-[1-(phenylmethyl)indol-3-yl]-3-thiophen-3-yl-propanoic acid Openeye Name: 3-(1-benzylindol-3-yl)-3-(3-thienyl)propanoic acid CAS Name: 3-[1-(phenylmethyl)-3-indolyl]-3-(3-thiophenyl)propanoic acid IUPAC Name: 3-(1-benzylindol-3-yl)-3-thiophen-3-ylpropanoic acid Traditional Name: 3-(1-benzylindol-3-yl)-3-(3-thienyl)propionic acid Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(CC(=O)O)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(CC(=O)O)C4=CSC=C4

InChI

InChI=1S/C22H19NO2S/c24-22(25)12-19(17-10-11-26-15-17)20-14-23(13-16-6-2-1-3-7-16)21-9-5-4-8-18(20)21/h1-11,14-15,19H,12-13H2,(H,24,25)