3-[(2-benzamidoethanoylamino)methyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[(2-benzamidoethanoylamino)methyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 3-[[(2-benzamidoacetyl)amino]methyl]-6-isopropyl-azulene-1-carboxylic acid CAS Name: 3-[[(2-benzamido-1-oxoethyl)amino]methyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[[(2-benzamidoacetyl)amino]methyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 3-[(hippuroylamino)methyl]-6-isopropyl-azulene-1-carboxylic acid Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O4/c1-15(2)16-8-10-19-18(12-21(24(29)30)20(19)11-9-16)13-25-22(27)14-26-23(28)17-6-4-3-5-7-17/h3-12,15H,13-14H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)