3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-1-carboxylic acid

Systemtic Name: 3-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-1-carboxylic acid Openeye Name: 3-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepine-1-carboxylic acid CAS Name: 3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepine-1-carboxylic acid IUPAC Name: 3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepine-1-carboxylic acid Traditional Name: 3-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepine-1-carboxylic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)C(=O)O

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)C(=O)O

InChI

InChI=1S/C23H26N2O5/c1-2-30-22(27)19(14-12-16-8-4-3-5-9-16)24-18-15-13-17-10-6-7-11-20(17)25(21(18)26)23(28)29/h3-11,18-19,24H,2,12-15H2,1H3,(H,28,29)/t18?,19-/m0/s1