methyl 5-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]furan-2-carboxylate Openeye Name: methyl 5-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]furan-2-carboxylate CAS Name: 5-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]furan-2-carboxylate Traditional Name: 5-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]furan-2-carboxylic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)CC=CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

COC1=NC(CCCC1)C/C=C/C2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C16H21NO4/c1-19-15-9-4-3-6-12(17-15)7-5-8-13-10-11-14(21-13)16(18)20-2/h5,8,10-12H,3-4,6-7,9H2,1-2H3/b8-5+