[4-(diethylamino)-2-(2-diethylaminoethyl)-2-phenyl-butyl] 4-nitrobenzoate

Systemtic Name: [4-(diethylamino)-2-(2-diethylaminoethyl)-2-phenyl-butyl] 4-nitrobenzoate Openeye Name: [4-(diethylamino)-2-(2-diethylaminoethyl)-2-phenyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(diethylamino)-2-(2-diethylaminoethyl)-2-phenylbutyl] ester IUPAC Name: [4-(diethylamino)-2-(2-diethylaminoethyl)-2-phenylbutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-(diethylamino)-2-(2-diethylaminoethyl)-2-phenyl-butyl] ester Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(CCN(CC)CC)(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCC(CCN(CC)CC)(COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C27H39N3O4/c1-5-28(6-2)20-18-27(19-21-29(7-3)8-4,24-12-10-9-11-13-24)22-34-26(31)23-14-16-25(17-15-23)30(32)33/h9-17H,5-8,18-22H2,1-4H3