2-oxidanylidene-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid

Systemtic Name: 2-oxidanylidene-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Openeye Name: 1-[[3-(isopropylcarbamoylamino)phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid CAS Name: 2-oxo-1-[[3-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid IUPAC Name: 2-oxo-1-[[3-(propan-2-ylcarbamoylamino)phenyl]methyl]-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Traditional Name: 1-[3-(isopropylcarbamoylamino)benzyl]-2-keto-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC(=C1)CN2C3=CC=CC=C3CCC(C2=O)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC(=C1)CN2C3=CC=CC=C3CCC(C2=O)C(=O)O

InChI

InChI=1S/C22H25N3O4/c1-14(2)23-22(29)24-17-8-5-6-15(12-17)13-25-19-9-4-3-7-16(19)10-11-18(20(25)26)21(27)28/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,27,28)(H2,23,24,29)