methyl 2-[2-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]pent-4-enoate

Systemtic Name: methyl 2-[2-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]pent-4-enoate Openeye Name: methyl 2-[2-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]pent-4-enoate CAS Name: 2-[2-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]-4-pentenoic acid methyl ester IUPAC Name: methyl 2-[2-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]pent-4-enoate Traditional Name: 2-[2-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)ethyl]pent-4-enoic acid methyl ester Formula: C16H27NO3 MolecularWeight: 281.39048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(CCCC1)CCC(CC=C)C(=O)OC

Isomeric SMILES

CCOC1=NC(CCCC1)CCC(CC=C)C(=O)OC

InChI

InChI=1S/C16H27NO3/c1-4-8-13(16(18)19-3)11-12-14-9-6-7-10-15(17-14)20-5-2/h4,13-14H,1,5-12H2,2-3H3