2-azanylethanoic acid; 3-bromanyl-5-methoxy-1-oxidanyl-cyclohexa-2,4-diene-1-carbaldehyde; cyclohexanamine

Systemtic Name: 2-azanylethanoic acid; 3-bromanyl-5-methoxy-1-oxidanyl-cyclohexa-2,4-diene-1-carbaldehyde; cyclohexanamine Openeye Name: 2-aminoacetic acid; 3-bromo-1-hydroxy-5-methoxy-cyclohexa-2,4-diene-1-carbaldehyde; cyclohexanamine CAS Name: 2-aminoacetic acid; 3-bromo-1-hydroxy-5-methoxy-1-cyclohexa-2,4-dienecarboxaldehyde; cyclohexanamine IUPAC Name: 2-aminoacetic acid; 3-bromo-1-hydroxy-5-methoxycyclohexa-2,4-diene-1-carbaldehyde; cyclohexanamine Traditional Name: 2-aminoacetic acid; 3-bromo-1-hydroxy-5-methoxy-cyclohexa-2,4-diene-1-carbaldehyde; cyclohexylamine Formula: C16H27BrN2O5 MolecularWeight: 407.29998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(C1)(C=O)O)Br.C1CCC(CC1)N.C(C(=O)O)N

Isomeric SMILES

COC1=CC(=CC(C1)(C=O)O)Br.C1CCC(CC1)N.C(C(=O)O)N

InChI

InChI=1S/C8H9BrO3.C6H13N.C2H5NO2/c1-12-7-2-6(9)3-8(11,4-7)5-10;7-6-4-2-1-3-5-6;3-1-2(4)5/h2-3,5,11H,4H2,1H3;6H,1-5,7H2;1,3H2,(H,4,5)