1-[3-cyclopropyl-1-[(5-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-7-yl)amino]-1-oxidanylidene-propan-2-yl]cyclopent-3-ene-1-carboxylic acid

Systemtic Name: 1-[3-cyclopropyl-1-[(5-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-7-yl)amino]-1-oxidanylidene-propan-2-yl]cyclopent-3-ene-1-carboxylic acid Openeye Name: 1-[1-(cyclopropylmethyl)-2-[(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)amino]-2-oxo-ethyl]cyclopent-3-ene-1-carboxylic acid CAS Name: 1-[3-cyclopropyl-1-[(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)amino]-1-oxopropan-2-yl]-1-cyclopent-3-enecarboxylic acid IUPAC Name: 1-[3-cyclopropyl-1-[(5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl)amino]-1-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid Traditional Name: 1-[1-(cyclopropylmethyl)-2-keto-2-[(6-keto-5-methyl-7H-benzo[d][1]benzazepin-7-yl)amino]ethyl]cyclopent-3-ene-1-carboxylic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)NC(=O)C(CC4CC4)C5(CC=CC5)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)NC(=O)C(CC4CC4)C5(CC=CC5)C(=O)O

InChI

InChI=1S/C27H28N2O4/c1-29-22-11-5-4-9-19(22)18-8-2-3-10-20(18)23(25(29)31)28-24(30)21(16-17-12-13-17)27(26(32)33)14-6-7-15-27/h2-11,17,21,23H,12-16H2,1H3,(H,28,30)(H,32,33)