2-[[2-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-1H-indol-5-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-[(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-1H-indol-5-yl]oxy]ethanoic acid Openeye Name: 2-[[2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-1H-indol-5-yl]oxy]acetic acid CAS Name: 2-[[2-[[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)amino]-oxomethyl]-1H-indol-5-yl]oxy]acetic acid IUPAC Name: 2-[[2-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-1H-indol-5-yl]oxy]acetic acid Traditional Name: 2-[[2-[(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoyl]-1H-indol-5-yl]oxy]acetic acid Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=C(N3)C=CC(=C4)OCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=C(N3)C=CC(=C4)OCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O5/c1-31-22-10-6-5-9-19(22)24(16-7-3-2-4-8-16)29-25(27(31)35)30-26(34)21-14-17-13-18(36-15-23(32)33)11-12-20(17)28-21/h2-14,25,28H,15H2,1H3,(H,30,34)(H,32,33)