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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)C=CC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC1=NC(CCCC1)/C=C/C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H21NO3/c1-20-16-10-6-4-8-14(18-16)12-11-13-7-3-5-9-15(13)17(19)21-2/h3,5,7,9,11-12,14H,4,6,8,10H2,1-2H3/b12-11+