2-[8-(4-carbamimidoylphenyl)carbonyl-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]ethanoic acid

Systemtic Name: 2-[8-(4-carbamimidoylphenyl)carbonyl-3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]ethanoic acid Openeye Name: 2-[8-(4-carbamimidoylbenzoyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid CAS Name: 2-[8-[(4-carbamimidoylphenyl)-oxomethyl]-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid IUPAC Name: 2-[8-(4-carbamimidoylbenzoyl)-3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid Traditional Name: 2-[8-(4-amidinobenzoyl)-3-keto-4-oxa-2,8-diazaspiro[4.5]decan-2-yl]acetic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CN(C(=O)O2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC12CN(C(=O)O2)CC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H20N4O5/c18-14(19)11-1-3-12(4-2-11)15(24)20-7-5-17(6-8-20)10-21(9-13(22)23)16(25)26-17/h1-4H,5-10H2,(H3,18,19)(H,22,23)