2-[3-[(3-methyl-1-phenyl-butyl)carbamoyl]-1-(phenylmethyl)indol-4-yl]ethanoic acid

Systemtic Name: 2-[3-[(3-methyl-1-phenyl-butyl)carbamoyl]-1-(phenylmethyl)indol-4-yl]ethanoic acid Openeye Name: 2-[1-benzyl-3-[(3-methyl-1-phenyl-butyl)carbamoyl]indol-4-yl]acetic acid CAS Name: 2-[3-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-1-(phenylmethyl)-4-indolyl]acetic acid IUPAC Name: 2-[1-benzyl-3-[(3-methyl-1-phenylbutyl)carbamoyl]indol-4-yl]acetic acid Traditional Name: 2-[1-benzyl-3-[(3-methyl-1-phenyl-butyl)carbamoyl]indol-4-yl]acetic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3/c1-20(2)16-25(22-12-7-4-8-13-22)30-29(34)24-19-31(18-21-10-5-3-6-11-21)26-15-9-14-23(28(24)26)17-27(32)33/h3-15,19-20,25H,16-18H2,1-2H3,(H,30,34)(H,32,33)