ethyl 2-[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[3-[[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]ethanoate Openeye Name: ethyl 2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetate CAS Name: 2-[3-[[[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetate Traditional Name: 2-[3-[[(3R)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]acetic acid ethyl ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CC1=CC(=CC=C1)NC(=O)N[C@H]2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N4O4/c1-3-35-23(32)17-18-10-9-13-20(16-18)28-27(34)30-25-26(33)31(2)22-15-8-7-14-21(22)24(29-25)19-11-5-4-6-12-19/h4-16,25H,3,17H2,1-2H3,(H2,28,30,34)/t25-/m0/s1