2-diethylaminoethyl 4-azanylbenzoate; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid

Systemtic Name: 2-diethylaminoethyl 4-azanylbenzoate; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid Openeye Name: 2-diethylaminoethyl 4-aminobenzoate; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid CAS Name: 4-aminobenzoic acid 2-diethylaminoethyl ester; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid IUPAC Name: 2-diethylaminoethyl 4-aminobenzoate; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid Traditional Name: 4-aminobenzoic acid 2-diethylaminoethyl ester; (1R,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylic acid Formula: C36H56N4O8 MolecularWeight: 672.85184

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(CCC1(C)C(=O)O)C(=O)O)C

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/2C13H20N2O2.C10H16O4/c2*1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h2*5-8H,3-4,9-10,14H2,1-2H3;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t;;6-,10+/m..1/s1