2-[9-(4-ethanimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]ethanoic acid

Systemtic Name: 2-[9-(4-ethanimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]ethanoic acid Openeye Name: 2-[9-(4-ethanimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetic acid CAS Name: 2-[9-[[4-(1-iminoethyl)phenyl]-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]acetic acid IUPAC Name: 2-[9-(4-ethanimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetic acid Traditional Name: 2-[9-(4-acetimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetic acid Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1=CC=C(C=C1)C(=O)N2CCC3(CCC(CC3)CC(=O)O)CC2

Isomeric SMILES

CC(=N)C1=CC=C(C=C1)C(=O)N2CCC3(CCC(CC3)CC(=O)O)CC2

InChI

InChI=1S/C21H28N2O3/c1-15(22)17-2-4-18(5-3-17)20(26)23-12-10-21(11-13-23)8-6-16(7-9-21)14-19(24)25/h2-5,16,22H,6-14H2,1H3,(H,24,25)