ethyl 2-[9-(4-carbamimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]ethanoate

Systemtic Name: ethyl 2-[9-(4-carbamimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]ethanoate Openeye Name: ethyl 2-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetate CAS Name: 2-[9-[(4-carbamimidoylphenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetate Traditional Name: 2-[9-(4-amidinobenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H31N3O3/c1-2-28-19(26)15-16-7-9-22(10-8-16)11-13-25(14-12-22)21(27)18-5-3-17(4-6-18)20(23)24/h3-6,16H,2,7-15H2,1H3,(H3,23,24)