3-[4-azanyl-3-(4-carboxyphenyl)-4-oxidanylidene-butan-2-yl]-4-piperidin-1-yl-benzoic acid

Systemtic Name: 3-[4-azanyl-3-(4-carboxyphenyl)-4-oxidanylidene-butan-2-yl]-4-piperidin-1-yl-benzoic acid Openeye Name: 3-[3-amino-2-(4-carboxyphenyl)-1-methyl-3-oxo-propyl]-4-(1-piperidyl)benzoic acid CAS Name: 3-[4-amino-3-(4-carboxyphenyl)-4-oxobutan-2-yl]-4-(1-piperidinyl)benzoic acid IUPAC Name: 3-[4-amino-3-(4-carboxyphenyl)-4-oxobutan-2-yl]-4-piperidin-1-ylbenzoic acid Traditional Name: 3-[3-amino-2-(4-carboxyphenyl)-3-keto-1-methyl-propyl]-4-piperidino-benzoic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C(=O)O)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)C(=O)O)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C23H26N2O5/c1-14(20(21(24)26)15-5-7-16(8-6-15)22(27)28)18-13-17(23(29)30)9-10-19(18)25-11-3-2-4-12-25/h5-10,13-14,20H,2-4,11-12H2,1H3,(H2,24,26)(H,27,28)(H,29,30)