(E)-2-[2-(azepan-1-yl)-1-methoxy-cyclopentyl]-6-oxidanylidene-hex-4-enoic acid

Systemtic Name: (E)-2-[2-(azepan-1-yl)-1-methoxy-cyclopentyl]-6-oxidanylidene-hex-4-enoic acid Openeye Name: (E)-2-[2-(azepan-1-yl)-1-methoxy-cyclopentyl]-6-oxo-hex-4-enoic acid CAS Name: (E)-2-[2-(1-azepanyl)-1-methoxycyclopentyl]-6-oxo-4-hexenoic acid IUPAC Name: (E)-2-[2-(azepan-1-yl)-1-methoxycyclopentyl]-6-oxohex-4-enoic acid Traditional Name: (E)-2-[2-(azepan-1-yl)-1-methoxy-cyclopentyl]-6-keto-hex-4-enoic acid Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCC1N2CCCCCC2)C(CC=CC=O)C(=O)O

Isomeric SMILES

COC1(CCCC1N2CCCCCC2)C(C/C=C/C=O)C(=O)O

InChI

InChI=1S/C18H29NO4/c1-23-18(15(17(21)22)9-4-7-14-20)11-8-10-16(18)19-12-5-2-3-6-13-19/h4,7,14-16H,2-3,5-6,8-13H2,1H3,(H,21,22)/b7-4+