ethyl (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoate

Systemtic Name: ethyl (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoate Openeye Name: ethyl (2S)-4-cyclohexyl-2-[[(3S)-4-oxo-5-(p-tolylmethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoate CAS Name: (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-cyclohexyl-2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butanoate Traditional Name: (2S)-4-cyclohexyl-2-[[(3S)-4-keto-5-(4-methylbenzyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]butyric acid ethyl ester Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1CCCCC1)NC2COC3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)[C@H](CCC1CCCCC1)N[C@H]2COC3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C

InChI

InChI=1S/C29H38N2O4/c1-3-34-29(33)24(18-17-22-9-5-4-6-10-22)30-25-20-35-27-12-8-7-11-26(27)31(28(25)32)19-23-15-13-21(2)14-16-23/h7-8,11-16,22,24-25,30H,3-6,9-10,17-20H2,1-2H3/t24-,25-/m0/s1