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

Systemtic Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(furan-2-yl)prop-2-enoate Openeye Name: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) 3-(2-furyl)prop-2-enoate CAS Name: 3-(2-furanyl)-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-(furan-2-yl)prop-2-enoate Traditional Name: 3-(2-furyl)acrylic acid (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NOC(=O)C=CC2=CC=CO2

Isomeric SMILES

C1CCC(=NCC1)NOC(=O)C=CC2=CC=CO2

InChI

InChI=1S/C13H16N2O3/c16-13(8-7-11-5-4-10-17-11)18-15-12-6-2-1-3-9-14-12/h4-5,7-8,10H,1-3,6,9H2,(H,14,15)