6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]oxyhexyl 3,5-bis(azanyl)benzoate

Systemtic Name: 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]oxyhexyl 3,5-bis(azanyl)benzoate Openeye Name: 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]oxyhexyl 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid 6-[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]hexyl ester IUPAC Name: 6-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]oxyhexyl 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]oxyhexyl ester Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)N)N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)N)N)OC

InChI

InChI=1S/C27H36N2O6/c1-3-4-13-33-24-11-9-20(16-25(24)32-2)10-12-26(30)34-14-7-5-6-8-15-35-27(31)21-17-22(28)19-23(29)18-21/h9-12,16-19H,3-8,13-15,28-29H2,1-2H3/b12-10+