(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(3,4-dimethoxyphenyl)prop-2-enoate

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: 3-(3,4-dimethoxyphenyl)-2-propenoic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester IUPAC Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: 3-(3,4-dimethoxyphenyl)acrylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-21-14-9-7-13(12-15(14)22-2)8-10-17(20)23-19-16-6-4-3-5-11-18-16/h7-10,12H,3-6,11H2,1-2H3,(H,18,19)