methyl N-[(5S)-3-ethanoyl-5-(4-hydroxyphenyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]carbamate

Systemtic Name: methyl N-[(5S)-3-ethanoyl-5-(4-hydroxyphenyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]carbamate Openeye Name: methyl N-[(5S)-3-acetyl-5-(4-hydroxyphenyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]carbamate CAS Name: N-[(5S)-3-acetyl-5-(4-hydroxyphenyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(5S)-3-acetyl-5-(4-hydroxyphenyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]carbamate Traditional Name: N-[(5S)-3-acetyl-5-(4-hydroxyphenyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]carbamic acid methyl ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(C2=CC=CC=C2NC1NC(=O)OC)C3=CC=C(C=C3)O

Isomeric SMILES

CC(=O)C1=N[C@H](C2=CC=CC=C2NC1NC(=O)OC)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H19N3O4/c1-11(23)16-18(22-19(25)26-2)20-15-6-4-3-5-14(15)17(21-16)12-7-9-13(24)10-8-12/h3-10,17-18,20,24H,1-2H3,(H,22,25)/t17-,18?/m0/s1