[6-(2-azanylethyl)-3-(4-methylphenyl)carbonyloxy-naphthalen-2-yl] 4-methylbenzoate

Systemtic Name: [6-(2-azanylethyl)-3-(4-methylphenyl)carbonyloxy-naphthalen-2-yl] 4-methylbenzoate Openeye Name: [6-(2-aminoethyl)-3-(4-methylbenzoyl)oxy-2-naphthyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [6-(2-aminoethyl)-3-[(4-methylphenyl)-oxomethoxy]-2-naphthalenyl] ester IUPAC Name: [6-(2-aminoethyl)-3-(4-methylbenzoyl)oxynaphthalen-2-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [6-(2-aminoethyl)-3-p-toluoyloxy-2-naphthyl] ester Formula: C28H25NO4 MolecularWeight: 439.5024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C=C(C=CC3=C2)CCN)OC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C=C(C=CC3=C2)CCN)OC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H25NO4/c1-18-3-8-21(9-4-18)27(30)32-25-16-23-12-7-20(13-14-29)15-24(23)17-26(25)33-28(31)22-10-5-19(2)6-11-22/h3-12,15-17H,13-14,29H2,1-2H3