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

Systemtic Name: ethyl 3-[9-(4-carbamimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoate Openeye Name: ethyl 3-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoate CAS Name: 3-[9-[(4-carbamimidoylphenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoate Traditional Name: 3-[9-(4-amidinobenzoyl)-9-azaspiro[5.5]undecan-3-yl]propionic acid ethyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CCC1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H33N3O3/c1-2-29-20(27)8-3-17-9-11-23(12-10-17)13-15-26(16-14-23)22(28)19-6-4-18(5-7-19)21(24)25/h4-7,17H,2-3,8-16H2,1H3,(H3,24,25)