2-[[(2S)-2-methyl-7-(3-oxidanylidenebutyl)-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl]benzoate

Systemtic Name: 2-[[(2S)-2-methyl-7-(3-oxidanylidenebutyl)-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl]benzoate Openeye Name: 2-[[(2S)-2-methyl-7-(3-oxobutyl)-1,2,3,4-tetrahydroquinolin-6-yl]azo]benzoate CAS Name: 2-[[(2S)-2-methyl-7-(3-oxobutyl)-1,2,3,4-tetrahydroquinolin-6-yl]azo]benzoate IUPAC Name: 2-[[(2S)-2-methyl-7-(3-oxobutyl)-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl]benzoate Traditional Name: 2-[[(2S)-7-(3-ketobutyl)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]azo]benzoate Formula: C21H22N3O3- MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC(=C(C=C2N1)CCC(=O)C)N=NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@H]1CCC2=CC(=C(C=C2N1)CCC(=O)C)N=NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-13-7-9-15-12-20(16(10-8-14(2)25)11-19(15)22-13)24-23-18-6-4-3-5-17(18)21(26)27/h3-6,11-13,22H,7-10H2,1-2H3,(H,26,27)/p-1/t13-/m0/s1