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

Systemtic Name: O1-ethyl O5-(2-methylpropylcarbamoylamino) 4-[[4-(3-nitrophenyl)phenyl]methyl]-2-oxidanyl-pentanedioate Openeye Name: O1-ethyl O5-(isobutylcarbamoylamino) 2-hydroxy-4-[[4-(3-nitrophenyl)phenyl]methyl]pentanedioate CAS Name: 2-hydroxy-4-[[4-(3-nitrophenyl)phenyl]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-(3-nitrophenyl)phenyl]methyl]pentanedioate Traditional Name: 2-hydroxy-4-[4-(3-nitrophenyl)benzyl]glutaric acid O1-ethyl ester O5-(isobutylcarbamoylamino) ester Formula: C25H31N3O8 MolecularWeight: 501.52894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O8/c1-4-35-24(31)22(29)14-20(23(30)36-27-25(32)26-15-16(2)3)12-17-8-10-18(11-9-17)19-6-5-7-21(13-19)28(33)34/h5-11,13,16,20,22,29H,4,12,14-15H2,1-3H3,(H2,26,27,32)