4-[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethoxy]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethoxy]butyric acid Formula: C29H28N4O6 MolecularWeight: 528.55582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCOC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCOC(=O)CCC(=O)O

InChI

InChI=1S/C29H28N4O6/c1-19-8-7-11-21(18-19)30-29(38)32-27-28(37)33(16-17-39-25(36)15-14-24(34)35)23-13-6-5-12-22(23)26(31-27)20-9-3-2-4-10-20/h2-13,18,27H,14-17H2,1H3,(H,34,35)(H2,30,32,38)