2-(4-chloranylphenoxy)-2-methyl-propanoic acid; 2-diethylaminoethyl 4-azanylbenzoate

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-propanoic acid; 2-diethylaminoethyl 4-azanylbenzoate Openeye Name: 2-(4-chlorophenoxy)-2-methyl-propanoic acid; 2-diethylaminoethyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 2-diethylaminoethyl ester; 2-(4-chlorophenoxy)-2-methylpropanoic acid IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid; 2-diethylaminoethyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 2-diethylaminoethyl ester; 2-(4-chlorophenoxy)-2-methyl-propionic acid Formula: C23H31ClN2O5 MolecularWeight: 450.95564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H20N2O2.C10H11ClO3/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h5-8H,3-4,9-10,14H2,1-2H3;3-6H,1-2H3,(H,12,13)