2-[8-(4-carbamimidoyl-2-methyl-phenyl)-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]ethanoic acid

Systemtic Name: 2-[8-(4-carbamimidoyl-2-methyl-phenyl)-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]ethanoic acid Openeye Name: 2-[8-(4-carbamimidoyl-2-methyl-phenyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]acetic acid CAS Name: 2-[8-(4-carbamimidoyl-2-methylphenyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]acetic acid IUPAC Name: 2-[8-(4-carbamimidoyl-2-methylphenyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]acetic acid Traditional Name: 2-[8-(4-amidino-2-methyl-phenyl)-9-keto-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]acetic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)N2CC3(CCN(CC3)CC(=O)O)OCC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CC3(CCN(CC3)CC(=O)O)OCC2=O

InChI

InChI=1S/C18H24N4O4/c1-12-8-13(17(19)20)2-3-14(12)22-11-18(26-10-15(22)23)4-6-21(7-5-18)9-16(24)25/h2-3,8H,4-7,9-11H2,1H3,(H3,19,20)(H,24,25)