[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H23NO5/c1-2-3-6-15-9-11-16(12-10-15)22-20(23)14-26-21(24)19-13-25-17-7-4-5-8-18(17)27-19/h4-5,7-12,19H,2-3,6,13-14H2,1H3,(H,22,23)/t19-/m1/s1