2-[3-(4-carbamimidoyl-2-methyl-phenyl)-4-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]ethanoic acid

Systemtic Name: 2-[3-(4-carbamimidoyl-2-methyl-phenyl)-4-oxidanylidene-3,8-diazaspiro[4.5]decan-8-yl]ethanoic acid Openeye Name: 2-[3-(4-carbamimidoyl-2-methyl-phenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]acetic acid CAS Name: 2-[3-(4-carbamimidoyl-2-methylphenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]acetic acid IUPAC Name: 2-[3-(4-carbamimidoyl-2-methylphenyl)-4-oxo-3,8-diazaspiro[4.5]decan-8-yl]acetic acid Traditional Name: 2-[3-(4-amidino-2-methyl-phenyl)-4-keto-3,8-diazaspiro[4.5]decan-8-yl]acetic acid Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)N2CCC3(C2=O)CCN(CC3)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CCC3(C2=O)CCN(CC3)CC(=O)O

InChI

InChI=1S/C18H24N4O3/c1-12-10-13(16(19)20)2-3-14(12)22-9-6-18(17(22)25)4-7-21(8-5-18)11-15(23)24/h2-3,10H,4-9,11H2,1H3,(H3,19,20)(H,23,24)