2-azanylbutanedioic acid; 4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Systemtic Name: 2-azanylbutanedioic acid; 4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Openeye Name: 2-aminobutanedioic acid; 4-(3,4-dichlorophenyl)-N-methyl-tetralin-1-amine CAS Name: 2-aminobutanedioic acid; 4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine IUPAC Name: 2-aminobutanedioic acid; 4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine Traditional Name: 2-aminosuccinic acid; [4-(3,4-dichlorophenyl)tetralin-1-yl]-methyl-amine Formula: C21H24Cl2N2O4 MolecularWeight: 439.33226

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C17H17Cl2N.C4H7NO4/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;5-2(4(8)9)1-3(6)7/h2-6,8,10,12,17,20H,7,9H2,1H3;2H,1,5H2,(H,6,7)(H,8,9)