3-[(3-methyl-1-phenyl-butyl)carbamoyl]-1-(phenylmethyl)indole-5-carboxylic acid

Systemtic Name: 3-[(3-methyl-1-phenyl-butyl)carbamoyl]-1-(phenylmethyl)indole-5-carboxylic acid Openeye Name: 1-benzyl-3-[(3-methyl-1-phenyl-butyl)carbamoyl]indole-5-carboxylic acid CAS Name: 3-[[(3-methyl-1-phenylbutyl)amino]-oxomethyl]-1-(phenylmethyl)-5-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[(3-methyl-1-phenylbutyl)carbamoyl]indole-5-carboxylic acid Traditional Name: 1-benzyl-3-[(3-methyl-1-phenyl-butyl)carbamoyl]indole-5-carboxylic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)C2=CN(C3=C2C=C(C=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-19(2)15-25(21-11-7-4-8-12-21)29-27(31)24-18-30(17-20-9-5-3-6-10-20)26-14-13-22(28(32)33)16-23(24)26/h3-14,16,18-19,25H,15,17H2,1-2H3,(H,29,31)(H,32,33)