1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-8-(pyridin-3-ylmethoxy)naphthalene-2-carboxylic acid

Systemtic Name: 1-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-8-(pyridin-3-ylmethoxy)naphthalene-2-carboxylic acid Openeye Name: 1-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]-8-(3-pyridylmethoxy)naphthalene-2-carboxylic acid CAS Name: 1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-8-(3-pyridinylmethoxy)-2-naphthalenecarboxylic acid IUPAC Name: 1-[2-[methyl(phenethyl)amino]-2-oxoethyl]-8-(pyridin-3-ylmethoxy)naphthalene-2-carboxylic acid Traditional Name: 1-[2-keto-2-[methyl(phenethyl)amino]ethyl]-8-(3-pyridylmethoxy)-2-naphthoic acid Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2=C(C=CC3=C2C(=CC=C3)OCC4=CN=CC=C4)C(=O)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC2=C(C=CC3=C2C(=CC=C3)OCC4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C28H26N2O4/c1-30(16-14-20-7-3-2-4-8-20)26(31)17-24-23(28(32)33)13-12-22-10-5-11-25(27(22)24)34-19-21-9-6-15-29-18-21/h2-13,15,18H,14,16-17,19H2,1H3,(H,32,33)