methyl 4-[(E)-3-oxidanylidene-3-[[(1R)-1-phenylbutyl]amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[[(1R)-1-phenylbutyl]amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[[(1R)-1-phenylbutyl]amino]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[[(1R)-1-phenylbutyl]amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[[(1R)-1-phenylbutyl]amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[[(1R)-1-phenylbutyl]amino]prop-1-enyl]benzoic acid methyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO3/c1-3-7-19(17-8-5-4-6-9-17)22-20(23)15-12-16-10-13-18(14-11-16)21(24)25-2/h4-6,8-15,19H,3,7H2,1-2H3,(H,22,23)/b15-12+/t19-/m1/s1