2,6-bis(azanyl)hexanoic acid; 3-ethoxyaniline; 4-phenylbenzaldehyde

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 3-ethoxyaniline; 4-phenylbenzaldehyde Openeye Name: 2,6-diaminohexanoic acid; 3-ethoxyaniline; 4-phenylbenzaldehyde CAS Name: 2,6-diaminohexanoic acid; 3-ethoxyaniline; 4-phenylbenzaldehyde IUPAC Name: 2,6-diaminohexanoic acid; 3-ethoxyaniline; 4-phenylbenzaldehyde Traditional Name: 2,6-diaminohexanoic acid; m-phenetidine; 4-phenylbenzaldehyde Formula: C27H35N3O4 MolecularWeight: 465.5845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N.C1=CC=C(C=C1)C2=CC=C(C=C2)C=O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCOC1=CC=CC(=C1)N.C1=CC=C(C=C1)C2=CC=C(C=C2)C=O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C13H10O.C8H11NO.C6H14N2O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;1-2-10-8-5-3-4-7(9)6-8;7-4-2-1-3-5(8)6(9)10/h1-10H;3-6H,2,9H2,1H3;5H,1-4,7-8H2,(H,9,10)