2-[[bis[4-(2-methylpropyl)phenyl]methylamino]methyl]-2-indol-1-yl-3-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-[[bis[4-(2-methylpropyl)phenyl]methylamino]methyl]-2-indol-1-yl-3-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-[[bis(4-isobutylphenyl)methylamino]methyl]-2-indol-1-yl-3-oxo-3-phenyl-propanoic acid CAS Name: 2-[[bis[4-(2-methylpropyl)phenyl]methylamino]methyl]-2-(1-indolyl)-3-oxo-3-phenylpropanoic acid IUPAC Name: 2-[[bis[4-(2-methylpropyl)phenyl]methylamino]methyl]-2-indol-1-yl-3-oxo-3-phenylpropanoic acid Traditional Name: 2-[[bis(4-isobutylphenyl)methylamino]methyl]-2-indol-1-yl-3-keto-3-phenyl-propionic acid Formula: C39H42N2O3 MolecularWeight: 586.76238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NCC(C(=O)C3=CC=CC=C3)(C(=O)O)N4C=CC5=CC=CC=C54

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)NCC(C(=O)C3=CC=CC=C3)(C(=O)O)N4C=CC5=CC=CC=C54

InChI

InChI=1S/C39H42N2O3/c1-27(2)24-29-14-18-32(19-15-29)36(33-20-16-30(17-21-33)25-28(3)4)40-26-39(38(43)44,37(42)34-11-6-5-7-12-34)41-23-22-31-10-8-9-13-35(31)41/h5-23,27-28,36,40H,24-26H2,1-4H3,(H,43,44)