methyl 6-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hexanoate

Systemtic Name: methyl 6-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hexanoate Openeye Name: methyl 6-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hexanoate CAS Name: 6-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methylhexanoic acid methyl ester IUPAC Name: methyl 6-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methylhexanoate Traditional Name: 6-(7-ethoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)-2-methyl-hexanoic acid methyl ester Formula: C16H29NO3 MolecularWeight: 283.40636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(CCCC1)CCCCC(C)C(=O)OC

Isomeric SMILES

CCOC1=NC(CCCC1)CCCCC(C)C(=O)OC

InChI

InChI=1S/C16H29NO3/c1-4-20-15-12-8-7-11-14(17-15)10-6-5-9-13(2)16(18)19-3/h13-14H,4-12H2,1-3H3