methyl 4-[(9,10-dimethoxy-4-oxidanylidene-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl)amino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 4-[(9,10-dimethoxy-4-oxidanylidene-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl)amino]-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-4-[(9,10-dimethoxy-4-oxo-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl)amino]-4-oxo-butanoate CAS Name: 4-[(9,10-dimethoxy-4-oxo-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl)amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 4-[(9,10-dimethoxy-4-oxo-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl)amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-keto-4-[(4-keto-9,10-dimethoxy-2,3,3a,5,6,10b-hexahydro-1H-benz[e]azulen-8-yl)amino]butyric acid methyl ester Formula: C29H34N2O8 MolecularWeight: 538.58886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCC(=O)C3CCCC3C2=C1OC)NC(=O)CC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2CCC(=O)C3CCCC3C2=C1OC)NC(=O)CC(C(=O)OC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O8/c1-36-26-21(14-18-12-13-23(32)19-10-7-11-20(19)25(18)27(26)37-2)30-24(33)15-22(28(34)38-3)31-29(35)39-16-17-8-5-4-6-9-17/h4-6,8-9,14,19-20,22H,7,10-13,15-16H2,1-3H3,(H,30,33)(H,31,35)