(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3,4-dimethoxybenzoate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3,4-dimethoxybenzoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)ONC2=NCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)ONC2=NCCCCC2)OC

InChI

InChI=1S/C15H20N2O4/c1-19-12-8-7-11(10-13(12)20-2)15(18)21-17-14-6-4-3-5-9-16-14/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)