3-[3-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-1-(phenylmethyl)indol-4-yl]propanoic acid

Systemtic Name: 3-[3-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-1-(phenylmethyl)indol-4-yl]propanoic acid Openeye Name: 3-[1-benzyl-3-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]indol-4-yl]propanoic acid CAS Name: 3-[3-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-1-(phenylmethyl)-4-indolyl]propanoic acid IUPAC Name: 3-[1-benzyl-3-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]indol-4-yl]propanoic acid Traditional Name: 3-[1-benzyl-3-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]indol-4-yl]propionic acid Formula: C32H36N2O3 MolecularWeight: 496.63984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=CN(C3=CC=CC(=C32)CCC(=O)O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=CN(C3=CC=CC(=C32)CCC(=O)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C32H36N2O3/c1-21(2)15-28(26-17-22(3)16-23(4)18-26)33-32(37)27-20-34(19-24-9-6-5-7-10-24)29-12-8-11-25(31(27)29)13-14-30(35)36/h5-12,16-18,20-21,28H,13-15,19H2,1-4H3,(H,33,37)(H,35,36)