4-azanylbenzene-1,3-dicarboxylic acid; 4-(phenylmethyl)piperidine

Systemtic Name: 4-azanylbenzene-1,3-dicarboxylic acid; 4-(phenylmethyl)piperidine Openeye Name: 4-aminobenzene-1,3-dicarboxylic acid; 4-benzylpiperidine CAS Name: 4-aminobenzene-1,3-dicarboxylic acid; 4-(phenylmethyl)piperidine IUPAC Name: 4-aminobenzene-1,3-dicarboxylic acid; 4-benzylpiperidine Traditional Name: 4-aminoisophthalic acid; 4-benzylpiperidine Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)N

Isomeric SMILES

C1CNCCC1CC2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)N

InChI

InChI=1S/C12H17N.C8H7NO4/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-5,12-13H,6-10H2;1-3H,9H2,(H,10,11)(H,12,13)