[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)Br)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C21H24BrNO5/c1-14(2)10-11-27-18-9-4-15(12-19(18)26-3)21(25)28-13-20(24)23-17-7-5-16(22)6-8-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,23,24)