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

Systemtic Name: 1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indole-2-carboxylic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C(=O)O

InChI

InChI=1S/C27H26N2O4/c1-28(15-14-20-8-4-2-5-9-20)26(30)18-29-24-13-12-23(16-22(24)17-25(29)27(31)32)33-19-21-10-6-3-7-11-21/h2-13,16-17H,14-15,18-19H2,1H3,(H,31,32)