2-aminocarbonyl-3-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]benzoic acid

Systemtic Name: 2-aminocarbonyl-3-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]benzoic acid Openeye Name: 3-[4-[(1-carbamimidoyl-4-piperidyl)oxy]phenyl]-2-carbamoyl-benzoic acid CAS Name: 3-[4-[(1-carbamimidoyl-4-piperidinyl)oxy]phenyl]-2-carbamoylbenzoic acid IUPAC Name: 3-[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]-2-carbamoylbenzoic acid Traditional Name: 3-[4-[(1-amidino-4-piperidyl)oxy]phenyl]-2-carbamoyl-benzoic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)O)C(=O)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)O)C(=O)N)C(=N)N

InChI

InChI=1S/C20H22N4O4/c21-18(25)17-15(2-1-3-16(17)19(26)27)12-4-6-13(7-5-12)28-14-8-10-24(11-9-14)20(22)23/h1-7,14H,8-11H2,(H2,21,25)(H3,22,23)(H,26,27)