methyl 4-[(E)-3-(hexylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(hexylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(hexylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(hexylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(hexylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(hexylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C17H23NO3 MolecularWeight: 289.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C=CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCNC(=O)/C=C/C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H23NO3/c1-3-4-5-6-13-18-16(19)12-9-14-7-10-15(11-8-14)17(20)21-2/h7-12H,3-6,13H2,1-2H3,(H,18,19)/b12-9+