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

Systemtic Name: 2-aminocarbonyl-3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]benzoic acid Openeye Name: 2-carbamoyl-3-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]benzoic acid CAS Name: 2-carbamoyl-3-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]benzoic acid IUPAC Name: 2-carbamoyl-3-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]benzoic acid Traditional Name: 3-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-2-carbamoyl-benzoic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C21H23N3O4/c1-13(22)24-11-9-16(10-12-24)28-15-7-5-14(6-8-15)17-3-2-4-18(21(26)27)19(17)20(23)25/h2-8,16,22H,9-12H2,1H3,(H2,23,25)(H,26,27)