2-[9-(4-carbamimidoyl-2-methyl-phenyl)-10-oxidanylidene-3,9-diazaspiro[5.5]undecan-3-yl]ethanoic acid

Systemtic Name: 2-[9-(4-carbamimidoyl-2-methyl-phenyl)-10-oxidanylidene-3,9-diazaspiro[5.5]undecan-3-yl]ethanoic acid Openeye Name: 2-[9-(4-carbamimidoyl-2-methyl-phenyl)-10-oxo-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid CAS Name: 2-[9-(4-carbamimidoyl-2-methylphenyl)-10-oxo-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid IUPAC Name: 2-[9-(4-carbamimidoyl-2-methylphenyl)-10-oxo-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid Traditional Name: 2-[9-(4-amidino-2-methyl-phenyl)-10-keto-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)N2CCC3(CCN(CC3)CC(=O)O)CC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)N2CCC3(CCN(CC3)CC(=O)O)CC2=O

InChI

InChI=1S/C19H26N4O3/c1-13-10-14(18(20)21)2-3-15(13)23-9-6-19(11-16(23)24)4-7-22(8-5-19)12-17(25)26/h2-3,10H,4-9,11-12H2,1H3,(H3,20,21)(H,25,26)