methyl 4-[(E)-3-oxidanylidene-3-[[(2S)-pentan-2-yl]amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[[(2S)-pentan-2-yl]amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[[(1S)-1-methylbutyl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[[(2S)-pentan-2-yl]amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[[(2S)-pentan-2-yl]amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[[(1S)-1-methylbutyl]amino]prop-1-enyl]benzoic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C=CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-4-5-12(2)17-15(18)11-8-13-6-9-14(10-7-13)16(19)20-3/h6-12H,4-5H2,1-3H3,(H,17,18)/b11-8+/t12-/m0/s1