4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-8-pentoxy-naphthalene-2-carboxylic acid

Systemtic Name: 4-[2-[methyl(phenethyl)amino]-2-oxidanylidene-ethyl]-8-pentoxy-naphthalene-2-carboxylic acid Openeye Name: 4-[2-[methyl(phenethyl)amino]-2-oxo-ethyl]-8-pentoxy-naphthalene-2-carboxylic acid CAS Name: 4-[2-[methyl(phenethyl)amino]-2-oxoethyl]-8-pentoxy-2-naphthalenecarboxylic acid IUPAC Name: 4-[2-[methyl(phenethyl)amino]-2-oxoethyl]-8-pentoxynaphthalene-2-carboxylic acid Traditional Name: 8-amoxy-4-[2-keto-2-[methyl(phenethyl)amino]ethyl]-2-naphthoic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC2=C(C=C(C=C21)C(=O)O)CC(=O)N(C)CCC3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=CC2=C(C=C(C=C21)C(=O)O)CC(=O)N(C)CCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO4/c1-3-4-8-16-32-25-13-9-12-23-21(17-22(27(30)31)18-24(23)25)19-26(29)28(2)15-14-20-10-6-5-7-11-20/h5-7,9-13,17-18H,3-4,8,14-16,19H2,1-2H3,(H,30,31)