2-(pentan-3-ylamino)ethyl 4-azanyl-2-chloranyl-benzoate methanoate

Systemtic Name: 2-(pentan-3-ylamino)ethyl 4-azanyl-2-chloranyl-benzoate methanoate Openeye Name: 2-(1-ethylpropylamino)ethyl 4-amino-2-chloro-benzoate formate CAS Name: 4-amino-2-chlorobenzoic acid 2-(pentan-3-ylamino)ethyl ester formate IUPAC Name: 2-(pentan-3-ylamino)ethyl 4-amino-2-chlorobenzoate formate Traditional Name: 4-amino-2-chloro-benzoic acid 2-(1-ethylpropylamino)ethyl ester formate Formula: C15H22ClN2O4- MolecularWeight: 329.79918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCCOC(=O)C1=C(C=C(C=C1)N)Cl.C(=O)[O-]

Isomeric SMILES

CCC(CC)NCCOC(=O)C1=C(C=C(C=C1)N)Cl.C(=O)[O-]

InChI

InChI=1S/C14H21ClN2O2.CH2O2/c1-3-11(4-2)17-7-8-19-14(18)12-6-5-10(16)9-13(12)15;2-1-3/h5-6,9,11,17H,3-4,7-8,16H2,1-2H3;1H,(H,2,3)/p-1