2,6-bis(azanyl)hexanoic acid; 4-bromanylbenzaldehyde; (2-methoxyphenyl)methanamine

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-bromanylbenzaldehyde; (2-methoxyphenyl)methanamine Openeye Name: 4-bromobenzaldehyde; 2,6-diaminohexanoic acid; (2-methoxyphenyl)methanamine CAS Name: 4-bromobenzaldehyde; 2,6-diaminohexanoic acid; (2-methoxyphenyl)methanamine IUPAC Name: 4-bromobenzaldehyde; 2,6-diaminohexanoic acid; (2-methoxyphenyl)methanamine Traditional Name: 4-bromobenzaldehyde; 2,6-diaminohexanoic acid; o-anisylamine Formula: C21H30BrN3O4 MolecularWeight: 468.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN.C1=CC(=CC=C1C=O)Br.C(CCN)CC(C(=O)O)N

Isomeric SMILES

COC1=CC=CC=C1CN.C1=CC(=CC=C1C=O)Br.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C8H11NO.C7H5BrO.C6H14N2O2/c1-10-8-5-3-2-4-7(8)6-9;8-7-3-1-6(5-9)2-4-7;7-4-2-1-3-5(8)6(9)10/h2-5H,6,9H2,1H3;1-5H;5H,1-4,7-8H2,(H,9,10)