[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

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