2-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]ethanoic acid Openeye Name: 2-[5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indol-3-yl]acetic acid CAS Name: 2-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-3-indolyl]acetic acid IUPAC Name: 2-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]acetic acid Traditional Name: 2-[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indol-3-yl]acetic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CN2C=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H28N2O4/c1-29(15-14-21-8-4-2-5-9-21)27(31)19-30-18-23(16-28(32)33)25-17-24(12-13-26(25)30)34-20-22-10-6-3-7-11-22/h2-13,17-18H,14-16,19-20H2,1H3,(H,32,33)