[4-[(E)-2-benzamido-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-enyl]phenyl] ethanoate

Systemtic Name: [4-[(E)-2-benzamido-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-enyl]phenyl] ethanoate Openeye Name: [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-oxo-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-2-benzamido-3-(3-hydroxypropylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C=C(C(=O)NCCCO)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)/C=C(\C(=O)NCCCO)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-15(25)28-18-10-8-16(9-11-18)14-19(21(27)22-12-5-13-24)23-20(26)17-6-3-2-4-7-17/h2-4,6-11,14,24H,5,12-13H2,1H3,(H,22,27)(H,23,26)/b19-14+