3-[4-(indol-1-ylmethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-(indol-1-ylmethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-(indol-1-ylmethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(1-indolylmethyl)-2-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(indol-1-ylmethyl)-2-[(3-methyl-1-phenylbutyl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(indol-1-ylmethyl)-2-[(3-methyl-1-phenyl-butyl)carbamoyl]phenyl]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=C(C=CC(=C2)CN3C=CC4=CC=CC=C43)CCC(=O)O

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)CN3C=CC4=CC=CC=C43)CCC(=O)O

InChI

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