2-methyl-1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indole-3-carboxylic acid

Systemtic Name: 2-methyl-1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indole-3-carboxylic acid Openeye Name: 5-benzyloxy-2-methyl-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indole-3-carboxylic acid CAS Name: 2-methyl-1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-3-indolecarboxylic acid IUPAC Name: 2-methyl-1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-3-carboxylic acid Traditional Name: 5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]-2-methyl-indole-3-carboxylic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)N(C)CCC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)N(C)CCC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H28N2O4/c1-20-27(28(32)33)24-17-23(34-19-22-11-7-4-8-12-22)13-14-25(24)30(20)18-26(31)29(2)16-15-21-9-5-3-6-10-21/h3-14,17H,15-16,18-19H2,1-2H3,(H,32,33)