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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C34H32N2O3/c1-4-28(25-10-6-5-7-11-25)33(37)35-27-18-19-32-31(20-27)22(2)23(3)36(32)21-24-14-16-26(17-15-24)29-12-8-9-13-30(29)34(38)39/h5-20,28H,4,21H2,1-3H3,(H,35,37)(H,38,39)