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

Systemtic Name: 3-[1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-5-phenylmethoxy-indol-3-yl]propanoic acid Openeye Name: 3-[5-benzyloxy-1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]indol-3-yl]propanoic acid CAS Name: 3-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-5-phenylmethoxyindol-3-yl]propanoic acid Traditional Name: 3-[5-benzoxy-1-[2-keto-2-[methyl(phenethyl)amino]ethyl]indol-3-yl]propionic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O4/c1-30(17-16-22-8-4-2-5-9-22)28(32)20-31-19-24(12-15-29(33)34)26-18-25(13-14-27(26)31)35-21-23-10-6-3-7-11-23/h2-11,13-14,18-19H,12,15-17,20-21H2,1H3,(H,33,34)