4-[4-azanyl-3-(4-chlorophenyl)-3-oxidanyl-cyclohexa-1,5-dien-1-yl]butanoic acid

Systemtic Name: 4-[4-azanyl-3-(4-chlorophenyl)-3-oxidanyl-cyclohexa-1,5-dien-1-yl]butanoic acid Openeye Name: 4-[4-amino-3-(4-chlorophenyl)-3-hydroxy-cyclohexa-1,5-dien-1-yl]butanoic acid CAS Name: 4-[4-amino-3-(4-chlorophenyl)-3-hydroxy-1-cyclohexa-1,5-dienyl]butanoic acid IUPAC Name: 4-[4-amino-3-(4-chlorophenyl)-3-hydroxycyclohexa-1,5-dien-1-yl]butanoic acid Traditional Name: 4-[4-amino-3-(4-chlorophenyl)-3-hydroxy-cyclohexa-1,5-dien-1-yl]butyric acid Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(C1N)(C2=CC=C(C=C2)Cl)O)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC(C1N)(C2=CC=C(C=C2)Cl)O)CCCC(=O)O

InChI

InChI=1S/C16H18ClNO3/c17-13-7-5-12(6-8-13)16(21)10-11(4-9-14(16)18)2-1-3-15(19)20/h4-10,14,21H,1-3,18H2,(H,19,20)