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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H27NO5/c1-16(2)11-12-27-19-10-9-18(13-20(19)26-3)22(25)28-15-21(24)23-14-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,24)