2-[3-(4-carbamimidoylphenyl)carbonyl-10-oxidanylidene-11-oxa-3,9-diazaspiro[5.5]undecan-9-yl]ethanoic acid

Systemtic Name: 2-[3-(4-carbamimidoylphenyl)carbonyl-10-oxidanylidene-11-oxa-3,9-diazaspiro[5.5]undecan-9-yl]ethanoic acid Openeye Name: 2-[3-(4-carbamimidoylbenzoyl)-10-oxo-11-oxa-3,9-diazaspiro[5.5]undecan-9-yl]acetic acid CAS Name: 2-[3-[(4-carbamimidoylphenyl)-oxomethyl]-10-oxo-11-oxa-3,9-diazaspiro[5.5]undecan-9-yl]acetic acid IUPAC Name: 2-[3-(4-carbamimidoylbenzoyl)-10-oxo-11-oxa-3,9-diazaspiro[5.5]undecan-9-yl]acetic acid Traditional Name: 2-[3-(4-amidinobenzoyl)-10-keto-11-oxa-3,9-diazaspiro[5.5]undecan-9-yl]acetic acid Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(C(=O)O2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC12CCN(C(=O)O2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H22N4O5/c19-15(20)12-1-3-13(4-2-12)16(25)21-8-5-18(6-9-21)7-10-22(11-14(23)24)17(26)27-18/h1-4H,5-11H2,(H3,19,20)(H,23,24)