2,6-bis(azanyl)heptanedioic acid; (phenylmethyl)benzene

Systemtic Name: 2,6-bis(azanyl)heptanedioic acid; (phenylmethyl)benzene Openeye Name: benzylbenzene; 2,6-diaminoheptanedioic acid CAS Name: 2,6-diaminoheptanedioic acid; (phenylmethyl)benzene IUPAC Name: benzylbenzene; 2,6-diaminoheptanedioic acid Traditional Name: benzylbenzene; 2,6-diaminopimelic acid Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2.C(CC(C(=O)O)N)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2.C(CC(C(=O)O)N)CC(C(=O)O)N

InChI

InChI=1S/C13H12.C7H14N2O4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;8-4(6(10)11)2-1-3-5(9)7(12)13/h1-10H,11H2;4-5H,1-3,8-9H2,(H,10,11)(H,12,13)