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

Systemtic Name: 3-[3-[(3-methyl-1-phenyl-butyl)carbamoyl]-1-(phenylmethyl)indol-4-yl]propanoic acid Openeye Name: 3-[1-benzyl-3-[(3-methyl-1-phenyl-butyl)carbamoyl]indol-4-yl]propanoic acid CAS Name: 3-[3-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-1-(phenylmethyl)-4-indolyl]propanoic acid IUPAC Name: 3-[1-benzyl-3-[(3-methyl-1-phenylbutyl)carbamoyl]indol-4-yl]propanoic acid Traditional Name: 3-[1-benzyl-3-[(3-methyl-1-phenyl-butyl)carbamoyl]indol-4-yl]propionic acid Formula: C30H32N2O3 MolecularWeight: 468.58668

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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)CCC(=O)O)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O3/c1-21(2)18-26(23-12-7-4-8-13-23)31-30(35)25-20-32(19-22-10-5-3-6-11-22)27-15-9-14-24(29(25)27)16-17-28(33)34/h3-15,20-21,26H,16-19H2,1-2H3,(H,31,35)(H,33,34)