4-[3-(4-carbamimidoylphenyl)carbonyl-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoic acid

Systemtic Name: 4-[3-(4-carbamimidoylphenyl)carbonyl-9-oxidanylidene-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoic acid Openeye Name: 4-[3-(4-carbamimidoylbenzoyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoic acid CAS Name: 4-[3-[(4-carbamimidoylphenyl)-oxomethyl]-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoic acid IUPAC Name: 4-[3-(4-carbamimidoylbenzoyl)-9-oxo-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butanoic acid Traditional Name: 4-[3-(4-amidinobenzoyl)-9-keto-11-oxa-3,8-diazaspiro[5.5]undecan-8-yl]butyric acid Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CN(C(=O)CO2)CCCC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(CCC12CN(C(=O)CO2)CCCC(=O)O)C(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H26N4O5/c21-18(22)14-3-5-15(6-4-14)19(28)23-10-7-20(8-11-23)13-24(16(25)12-29-20)9-1-2-17(26)27/h3-6H,1-2,7-13H2,(H3,21,22)(H,26,27)