[(E)-6-azanyl-6-oxidanylidene-5-(pentylamino)hex-3-enyl] benzoate

Systemtic Name: [(E)-6-azanyl-6-oxidanylidene-5-(pentylamino)hex-3-enyl] benzoate Openeye Name: [(E)-6-amino-6-oxo-5-(pentylamino)hex-3-enyl] benzoate CAS Name: benzoic acid [(E)-6-amino-6-oxo-5-(pentylamino)hex-3-enyl] ester IUPAC Name: [(E)-6-amino-6-oxo-5-(pentylamino)hex-3-enyl] benzoate Traditional Name: benzoic acid [(E)-6-amino-5-(amylamino)-6-keto-hex-3-enyl] ester Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(C=CCCOC(=O)C1=CC=CC=C1)C(=O)N

Isomeric SMILES

CCCCCNC(/C=C/CCOC(=O)C1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C18H26N2O3/c1-2-3-8-13-20-16(17(19)21)12-7-9-14-23-18(22)15-10-5-4-6-11-15/h4-7,10-12,16,20H,2-3,8-9,13-14H2,1H3,(H2,19,21)/b12-7+