3-[[2-[(4-chlorophenyl)carbonylamino]ethanoylamino]methyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[[2-[(4-chlorophenyl)carbonylamino]ethanoylamino]methyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[[[2-[(4-chlorobenzoyl)amino]acetyl]amino]methyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[[[2-[[(4-chlorophenyl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[[[2-[(4-chlorobenzoyl)amino]acetyl]amino]methyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[[[2-[(4-chlorobenzoyl)amino]acetyl]amino]methyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C24H23ClN2O4 MolecularWeight: 438.90342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C2C(=C(C=C2CNC(=O)CNC(=O)C3=CC=C(C=C3)Cl)C(=O)O)C=C1

Isomeric SMILES

CC(C)C1=CC=C2C(=C(C=C2CNC(=O)CNC(=O)C3=CC=C(C=C3)Cl)C(=O)O)C=C1

InChI

InChI=1S/C24H23ClN2O4/c1-14(2)15-5-9-19-17(11-21(24(30)31)20(19)10-6-15)12-26-22(28)13-27-23(29)16-3-7-18(25)8-4-16/h3-11,14H,12-13H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)