O1-ethyl O5-(2-methylpropylcarbamoylamino) 4-[[4-(4-methoxyphenyl)-3-nitro-phenyl]methyl]-2-oxidanyl-pentanedioate

Systemtic Name: O1-ethyl O5-(2-methylpropylcarbamoylamino) 4-[[4-(4-methoxyphenyl)-3-nitro-phenyl]methyl]-2-oxidanyl-pentanedioate Openeye Name: O1-ethyl O5-(isobutylcarbamoylamino) 2-hydroxy-4-[[4-(4-methoxyphenyl)-3-nitro-phenyl]methyl]pentanedioate CAS Name: 2-hydroxy-4-[[4-(4-methoxyphenyl)-3-nitrophenyl]methyl]pentanedioic acid O1-ethyl ester O5-[[(2-methylpropylamino)-oxomethyl]amino] ester IUPAC Name: 1-O-ethyl 5-O-(2-methylpropylcarbamoylamino) 2-hydroxy-4-[[4-(4-methoxyphenyl)-3-nitrophenyl]methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(4-methoxyphenyl)-3-nitro-benzyl]glutaric acid O1-ethyl ester O5-(isobutylcarbamoylamino) ester Formula: C26H33N3O9 MolecularWeight: 531.55492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CC1=CC(=C(C=C1)C2=CC=C(C=C2)OC)[N+](=O)[O-])C(=O)ONC(=O)NCC(C)C)O

Isomeric SMILES

CCOC(=O)C(CC(CC1=CC(=C(C=C1)C2=CC=C(C=C2)OC)[N+](=O)[O-])C(=O)ONC(=O)NCC(C)C)O

InChI

InChI=1S/C26H33N3O9/c1-5-37-25(32)23(30)14-19(24(31)38-28-26(33)27-15-16(2)3)12-17-6-11-21(22(13-17)29(34)35)18-7-9-20(36-4)10-8-18/h6-11,13,16,19,23,30H,5,12,14-15H2,1-4H3,(H2,27,28,33)