4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-7-phenylmethoxy-naphthalene-2-carboxylic acid

Systemtic Name: 4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-7-phenylmethoxy-naphthalene-2-carboxylic acid Openeye Name: 7-benzyloxy-4-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]naphthalene-2-carboxylic acid CAS Name: 4-[2-[methyl(phenethyl)amino]-2-oxoethyl]-7-phenylmethoxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[2-[methyl(phenethyl)amino]-2-oxoethyl]-7-phenylmethoxynaphthalene-2-carboxylic acid Traditional Name: 7-benzoxy-4-[2-keto-2-[methyl(phenethyl)amino]ethyl]-2-naphthoic acid Formula: C29H27NO4 MolecularWeight: 453.52898

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C(=O)CC2=C3C=CC(=CC3=CC(=C2)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC=CC=C1)C(=O)CC2=C3C=CC(=CC3=CC(=C2)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO4/c1-30(15-14-21-8-4-2-5-9-21)28(31)19-24-17-25(29(32)33)16-23-18-26(12-13-27(23)24)34-20-22-10-6-3-7-11-22/h2-13,16-18H,14-15,19-20H2,1H3,(H,32,33)