3-[4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-8-phenoxy-naphthalen-2-yl]propanoic acid

Systemtic Name: 3-[4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-8-phenoxy-naphthalen-2-yl]propanoic acid Openeye Name: 3-[4-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]-8-phenoxy-2-naphthyl]propanoic acid CAS Name: 3-[4-[2-[methyl(phenethyl)amino]-2-oxoethyl]-8-phenoxy-2-naphthalenyl]propanoic acid IUPAC Name: 3-[4-[2-[methyl(phenethyl)amino]-2-oxoethyl]-8-phenoxynaphthalen-2-yl]propanoic acid Traditional Name: 3-[4-[2-keto-2-[methyl(phenethyl)amino]ethyl]-8-phenoxy-2-naphthyl]propionic acid Formula: C30H29NO4 MolecularWeight: 467.55556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2=C3C=CC=C(C3=CC(=C2)CCC(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC2=C3C=CC=C(C3=CC(=C2)CCC(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C30H29NO4/c1-31(18-17-22-9-4-2-5-10-22)29(32)21-24-19-23(15-16-30(33)34)20-27-26(24)13-8-14-28(27)35-25-11-6-3-7-12-25/h2-14,19-20H,15-18,21H2,1H3,(H,33,34)