6-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl]hexyl 3,5-bis(azanyl)benzoate

Systemtic Name: 6-[4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl]hexyl 3,5-bis(azanyl)benzoate Openeye Name: 6-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl]hexyl 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid 6-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]hexyl ester IUPAC Name: 6-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]hexyl 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid 6-[4-[(E)-3-keto-3-phenyl-prop-1-enyl]phenyl]hexyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)CCCCCCOC(=O)C3=CC(=CC(=C3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)CCCCCCOC(=O)C3=CC(=CC(=C3)N)N

InChI

InChI=1S/C28H30N2O3/c29-25-18-24(19-26(30)20-25)28(32)33-17-7-2-1-4-8-21-11-13-22(14-12-21)15-16-27(31)23-9-5-3-6-10-23/h3,5-6,9-16,18-20H,1-2,4,7-8,17,29-30H2/b16-15+