2-[4-[[2,3-dimethyl-5-(3-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[2,3-dimethyl-5-(3-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2,3-dimethyl-5-(3-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2,3-dimethyl-5-[oxo-(3-phenylpropylamino)methyl]-1-indolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2,3-dimethyl-5-(3-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2,3-dimethyl-5-(3-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Formula: C34H32N2O3 MolecularWeight: 516.62948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NCCCC3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)C

InChI

InChI=1S/C34H32N2O3/c1-23-24(2)36(22-26-14-16-27(17-15-26)29-12-6-7-13-30(29)34(38)39)32-19-18-28(21-31(23)32)33(37)35-20-8-11-25-9-4-3-5-10-25/h3-7,9-10,12-19,21H,8,11,20,22H2,1-2H3,(H,35,37)(H,38,39)