3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(3-methylindol-1-yl)methyl]phenyl]propanoic acid

Systemtic Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(3-methylindol-1-yl)methyl]phenyl]propanoic acid Openeye Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(3-methylindol-1-yl)methyl]phenyl]propanoic acid CAS Name: 3-[2-[[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]-oxomethyl]-4-[(3-methyl-1-indolyl)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(3-methylindol-1-yl)methyl]phenyl]propanoic acid Traditional Name: 3-[2-[[1-(3,5-dimethylphenyl)-3-methyl-butyl]carbamoyl]-4-[(3-methylindol-1-yl)methyl]phenyl]propionic acid Formula: C33H38N2O3 MolecularWeight: 510.66642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)CN3C=C(C4=CC=CC=C43)C)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(CC(C)C)NC(=O)C2=C(C=CC(=C2)CN3C=C(C4=CC=CC=C43)C)CCC(=O)O)C

InChI

InChI=1S/C33H38N2O3/c1-21(2)14-30(27-16-22(3)15-23(4)17-27)34-33(38)29-18-25(10-11-26(29)12-13-32(36)37)20-35-19-24(5)28-8-6-7-9-31(28)35/h6-11,15-19,21,30H,12-14,20H2,1-5H3,(H,34,38)(H,36,37)