4,4-bis(3-azanyl-4-oxidanyl-phenyl)pentanoate

Systemtic Name: 4,4-bis(3-azanyl-4-oxidanyl-phenyl)pentanoate Openeye Name: 4,4-bis(3-amino-4-hydroxy-phenyl)pentanoate CAS Name: 4,4-bis(3-amino-4-hydroxyphenyl)pentanoate IUPAC Name: 4,4-bis(3-amino-4-hydroxyphenyl)pentanoate Traditional Name: 4,4-bis(3-amino-4-hydroxy-phenyl)valerate Formula: C17H19N2O4- MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC(=C(C=C1)O)N)C2=CC(=C(C=C2)O)N

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC(=C(C=C1)O)N)C2=CC(=C(C=C2)O)N

InChI

InChI=1S/C17H20N2O4/c1-17(7-6-16(22)23,10-2-4-14(20)12(18)8-10)11-3-5-15(21)13(19)9-11/h2-5,8-9,20-21H,6-7,18-19H2,1H3,(H,22,23)/p-1