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

Systemtic Name: 2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-methyl-5-[oxo-(1-phenylpropylamino)methyl]-1-indolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid Formula: C33H30N2O3 MolecularWeight: 502.6029

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C(=C3)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C33H30N2O3/c1-3-30(25-9-5-4-6-10-25)34-32(36)26-17-18-31-27(20-26)19-22(2)35(31)21-23-13-15-24(16-14-23)28-11-7-8-12-29(28)33(37)38/h4-20,30H,3,21H2,1-2H3,(H,34,36)(H,37,38)