2-[8-(4-ethanimidoylphenyl)carbonyl-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]ethanoic acid

Systemtic Name: 2-[8-(4-ethanimidoylphenyl)carbonyl-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]ethanoic acid Openeye Name: 2-[8-(4-ethanimidoylbenzoyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid CAS Name: 2-[8-[[4-(1-iminoethyl)phenyl]-oxomethyl]-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid IUPAC Name: 2-[8-(4-ethanimidoylbenzoyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid Traditional Name: 2-[8-(4-acetimidoylbenzoyl)-3-keto-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CN(C(=O)O3)CC(=O)O

Isomeric SMILES

CC(=N)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CN(C(=O)O3)CC(=O)O

InChI

InChI=1S/C18H21N3O5/c1-12(19)13-2-4-14(5-3-13)16(24)20-8-6-18(7-9-20)11-21(10-15(22)23)17(25)26-18/h2-5,19H,6-11H2,1H3,(H,22,23)