4-butyl-3-(ethylamino)naphthalene-1,2-dicarboxylic acid

Systemtic Name: 4-butyl-3-(ethylamino)naphthalene-1,2-dicarboxylic acid Openeye Name: 4-butyl-3-(ethylamino)naphthalene-1,2-dicarboxylic acid CAS Name: 4-butyl-3-(ethylamino)naphthalene-1,2-dicarboxylic acid IUPAC Name: 4-butyl-3-(ethylamino)naphthalene-1,2-dicarboxylic acid Traditional Name: 4-butyl-3-(ethylamino)naphthalene-1,2-dicarboxylic acid Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)O)C(=O)O)NCC

Isomeric SMILES

CCCCC1=C(C(=C(C2=CC=CC=C21)C(=O)O)C(=O)O)NCC

InChI

InChI=1S/C18H21NO4/c1-3-5-8-13-11-9-6-7-10-12(11)14(17(20)21)15(18(22)23)16(13)19-4-2/h6-7,9-10,19H,3-5,8H2,1-2H3,(H,20,21)(H,22,23)