2,6-bis(azanyl)hexanoic acid; 2-methoxyaniline; 4-phenylbenzaldehyde

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-methoxyaniline; 4-phenylbenzaldehyde Openeye Name: 2,6-diaminohexanoic acid; 2-methoxyaniline; 4-phenylbenzaldehyde CAS Name: 2,6-diaminohexanoic acid; 2-methoxyaniline; 4-phenylbenzaldehyde IUPAC Name: 2,6-diaminohexanoic acid; 2-methoxyaniline; 4-phenylbenzaldehyde Traditional Name: 2,6-diaminohexanoic acid; o-anisidine; 4-phenylbenzaldehyde Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N.C1=CC=C(C=C1)C2=CC=C(C=C2)C=O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

COC1=CC=CC=C1N.C1=CC=C(C=C1)C2=CC=C(C=C2)C=O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C13H10O.C7H9NO.C6H14N2O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-9-7-5-3-2-4-6(7)8;7-4-2-1-3-5(8)6(9)10/h1-10H;2-5H,8H2,1H3;5H,1-4,7-8H2,(H,9,10)