methyl 2-(2-methoxy-11-oxidanylidene-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)ethanoate

Systemtic Name: methyl 2-(2-methoxy-11-oxidanylidene-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)ethanoate Openeye Name: methyl 2-(3-benzyloxy-2-methoxy-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)acetate CAS Name: 2-(2-methoxy-11-oxo-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-methoxy-11-oxo-3-phenylmethoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)acetate Traditional Name: 2-(3-benzoxy-11-keto-2-methoxy-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)acetic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C=N2)CC(=O)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3C=C(CC3C=N2)CC(=O)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O5/c1-28-20-10-18-19(11-21(20)30-14-15-6-4-3-5-7-15)24-12-17-8-16(9-22(26)29-2)13-25(17)23(18)27/h3-7,10-13,17H,8-9,14H2,1-2H3