1-[5-methyl-1-phenyl-4-(phenylmethyl)piperazin-2-yl]indole-3-carboxylic acid

Systemtic Name: 1-[5-methyl-1-phenyl-4-(phenylmethyl)piperazin-2-yl]indole-3-carboxylic acid Openeye Name: 1-(4-benzyl-5-methyl-1-phenyl-piperazin-2-yl)indole-3-carboxylic acid CAS Name: 1-[5-methyl-1-phenyl-4-(phenylmethyl)-2-piperazinyl]-3-indolecarboxylic acid IUPAC Name: 1-(4-benzyl-5-methyl-1-phenylpiperazin-2-yl)indole-3-carboxylic acid Traditional Name: 1-(4-benzyl-5-methyl-1-phenyl-piperazin-2-yl)indole-3-carboxylic acid Formula: C27H27N3O2 MolecularWeight: 425.52218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1CC2=CC=CC=C2)N3C=C(C4=CC=CC=C43)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1CN(C(CN1CC2=CC=CC=C2)N3C=C(C4=CC=CC=C43)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c1-20-16-29(22-12-6-3-7-13-22)26(19-28(20)17-21-10-4-2-5-11-21)30-18-24(27(31)32)23-14-8-9-15-25(23)30/h2-15,18,20,26H,16-17,19H2,1H3,(H,31,32)