[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCCC2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)NCCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H26BrNO5/c1-3-12-28-21-18(23)13-17(14-19(21)27-2)22(26)29-15-20(25)24-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,13-14H,3,7,10-12,15H2,1-2H3,(H,24,25)