calcium (E)-3-(1-oxidanylidene-2,4-diazaspiro[4.5]dec-3-en-3-yl)-2-propyl-pent-2-enoate

Systemtic Name: calcium (E)-3-(1-oxidanylidene-2,4-diazaspiro[4.5]dec-3-en-3-yl)-2-propyl-pent-2-enoate Openeye Name: calcium (E)-3-(1-oxo-2,4-diazaspiro[4.5]dec-3-en-3-yl)-2-propyl-pent-2-enoate CAS Name: calcium (E)-3-(1-oxo-2,4-diazaspiro[4.5]dec-3-en-3-yl)-2-propyl-2-pentenoate IUPAC Name: calcium (E)-3-(1-oxo-2,4-diazaspiro[4.5]dec-3-en-3-yl)-2-propylpent-2-enoate Traditional Name: calcium (E)-3-(1-keto-2,4-diazaspiro[4.5]dec-3-en-3-yl)-2-propyl-pent-2-enoate Formula: C32H46CaN4O6 MolecularWeight: 622.80884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C(CC)C1=NC2(CCCCC2)C(=O)N1)C(=O)[O-].CCCC(=C(CC)C1=NC2(CCCCC2)C(=O)N1)C(=O)[O-].[Ca+2]

Isomeric SMILES

CCC/C(=C(\C1=NC2(C(=O)N1)CCCCC2)/CC)/C(=O)[O-].CCC/C(=C(\C1=NC2(C(=O)N1)CCCCC2)/CC)/C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H24N2O3.Ca/c2*1-3-8-12(14(19)20)11(4-2)13-17-15(21)16(18-13)9-6-5-7-10-16;/h2*3-10H2,1-2H3,(H,19,20)(H,17,18,21);/q;;+2/p-2/b2*12-11+;