4-[[4-[(6-chloranyl-2-oxidanylidene-chromen-4-yl)amino]piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-[(6-chloranyl-2-oxidanylidene-chromen-4-yl)amino]piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[(6-chloro-2-oxo-chromen-4-yl)amino]-1-piperidyl]methyl]benzoic acid CAS Name: 4-[[4-[(6-chloro-2-oxo-1-benzopyran-4-yl)amino]-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-[[4-[(6-chloro-2-oxochromen-4-yl)amino]piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-[(6-chloro-2-keto-chromen-4-yl)amino]piperidino]methyl]benzoic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21ClN2O4/c23-16-5-6-20-18(11-16)19(12-21(26)29-20)24-17-7-9-25(10-8-17)13-14-1-3-15(4-2-14)22(27)28/h1-6,11-12,17,24H,7-10,13H2,(H,27,28)