2-diethylaminoethyl 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoate

Systemtic Name: 2-diethylaminoethyl 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoate Openeye Name: 2-diethylaminoethyl 3-nitro-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]benzoate CAS Name: 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoate Traditional Name: 3-nitro-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]benzoic acid 2-diethylaminoethyl ester Formula: C29H42N2O6 MolecularWeight: 514.65358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC(=C(C=C1)OCCOC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC(=C(C=C1)OCCOC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H42N2O6/c1-8-30(9-2)16-17-37-27(32)22-10-15-26(25(20-22)31(33)34)36-19-18-35-24-13-11-23(12-14-24)29(6,7)21-28(3,4)5/h10-15,20H,8-9,16-19,21H2,1-7H3