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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2(CCCN(C2)C(=O)C3=CC=C(C=C3)C(=N)N)CC1

Isomeric SMILES

CCOC(=O)CC1CCC2(CCCN(C2)C(=O)C3=CC=C(C=C3)C(=N)N)CC1

InChI

InChI=1S/C22H31N3O3/c1-2-28-19(26)14-16-8-11-22(12-9-16)10-3-13-25(15-22)21(27)18-6-4-17(5-7-18)20(23)24/h4-7,16H,2-3,8-15H2,1H3,(H3,23,24)