methyl 8-(3-ethynylphenyl)carbonyl-4-(2-methoxyethyl)-3-oxidanylidene-4,8-diazaspiro[4.5]decane-1-carboxylate

Systemtic Name: methyl 8-(3-ethynylphenyl)carbonyl-4-(2-methoxyethyl)-3-oxidanylidene-4,8-diazaspiro[4.5]decane-1-carboxylate Openeye Name: methyl 8-(3-ethynylbenzoyl)-4-(2-methoxyethyl)-3-oxo-4,8-diazaspiro[4.5]decane-1-carboxylate CAS Name: 8-[(3-ethynylphenyl)-oxomethyl]-4-(2-methoxyethyl)-3-oxo-4,8-diazaspiro[4.5]decane-1-carboxylic acid methyl ester IUPAC Name: methyl 8-(3-ethynylbenzoyl)-4-(2-methoxyethyl)-3-oxo-4,8-diazaspiro[4.5]decane-1-carboxylate Traditional Name: 8-(3-ethynylbenzoyl)-3-keto-4-(2-methoxyethyl)-4,8-diazaspiro[4.5]decane-1-carboxylic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)CC(C12CCN(CC2)C(=O)C3=CC=CC(=C3)C#C)C(=O)OC

Isomeric SMILES

COCCN1C(=O)CC(C12CCN(CC2)C(=O)C3=CC=CC(=C3)C#C)C(=O)OC

InChI

InChI=1S/C22H26N2O5/c1-4-16-6-5-7-17(14-16)20(26)23-10-8-22(9-11-23)18(21(27)29-3)15-19(25)24(22)12-13-28-2/h1,5-7,14,18H,8-13,15H2,2-3H3