4-azanyl-3-[1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-benzoic acid

Systemtic Name: 4-azanyl-3-[1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 4-amino-3-[1-methyl-2-oxo-2-(pentylamino)ethoxy]benzoic acid CAS Name: 4-amino-3-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 4-amino-3-[1-oxo-1-(pentylamino)propan-2-yl]oxybenzoic acid Traditional Name: 4-amino-3-[2-(amylamino)-2-keto-1-methyl-ethoxy]benzoic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C)OC1=C(C=CC(=C1)C(=O)O)N

Isomeric SMILES

CCCCCNC(=O)C(C)OC1=C(C=CC(=C1)C(=O)O)N

InChI

InChI=1S/C15H22N2O4/c1-3-4-5-8-17-14(18)10(2)21-13-9-11(15(19)20)6-7-12(13)16/h6-7,9-10H,3-5,8,16H2,1-2H3,(H,17,18)(H,19,20)