2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-yl 2-ethylhexanoate

Systemtic Name: 2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-yl 2-ethylhexanoate Openeye Name: 2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-yl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid 2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-yl ester IUPAC Name: 2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-yl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid 2,3,4,8,9,10-hexahydro-1H-pyrimid[1,2-a]azepin-10a-yl ester Formula: C17H30N2O2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC12CCCC=CN1CCCN2

Isomeric SMILES

CCCCC(CC)C(=O)OC12CCCC=CN1CCCN2

InChI

InChI=1S/C17H30N2O2/c1-3-5-10-15(4-2)16(20)21-17-11-7-6-8-13-19(17)14-9-12-18-17/h8,13,15,18H,3-7,9-12,14H2,1-2H3