methyl 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoate

Systemtic Name: methyl 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoate Openeye Name: methyl 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl]benzoate CAS Name: 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)ethenyl]benzoate Traditional Name: 2-[(E)-2-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-6-yl)vinyl]benzoic acid methyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NCCCCC1C=CC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC1=NCCCCC1/C=C/C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H21NO3/c1-20-16-14(8-5-6-12-18-16)11-10-13-7-3-4-9-15(13)17(19)21-2/h3-4,7,9-11,14H,5-6,8,12H2,1-2H3/b11-10+