2-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-keto-3H-1,4-benzodiazepin-3-yl]acetic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=CC=CC=C3C(=NC(C2=O)CC(=O)O)C4=CC(=CC=C4)O

Isomeric SMILES

C1CC1CN2C3=CC=CC=C3C(=NC(C2=O)CC(=O)O)C4=CC(=CC=C4)O

InChI

InChI=1S/C21H20N2O4/c24-15-5-3-4-14(10-15)20-16-6-1-2-7-18(16)23(12-13-8-9-13)21(27)17(22-20)11-19(25)26/h1-7,10,13,17,24H,8-9,11-12H2,(H,25,26)