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

Systemtic Name: 2-[4-[[5-(2-phenylbutanoylamino)-2-propyl-indol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-(2-phenylbutanoylamino)-2-propyl-indol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-[(1-oxo-2-phenylbutyl)amino]-2-propyl-1-indolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-(2-phenylbutanoylamino)-2-propylindol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-(2-phenylbutanoylamino)-2-propyl-indol-1-yl]methyl]phenyl]benzoic acid Formula: C35H34N2O3 MolecularWeight: 530.65606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)NC(=O)C(CC)C5=CC=CC=C5

Isomeric SMILES

CCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)NC(=O)C(CC)C5=CC=CC=C5

InChI

InChI=1S/C35H34N2O3/c1-3-10-29-22-27-21-28(36-34(38)30(4-2)25-11-6-5-7-12-25)19-20-33(27)37(29)23-24-15-17-26(18-16-24)31-13-8-9-14-32(31)35(39)40/h5-9,11-22,30H,3-4,10,23H2,1-2H3,(H,36,38)(H,39,40)