(2S)-N3-(4-methoxyphenyl)-4-nitro-1,5-diphenyl-N2,N2-bis(phenylmethyl)pentane-2,3-diamine

Systemtic Name: (2S)-N3-(4-methoxyphenyl)-4-nitro-1,5-diphenyl-N2,N2-bis(phenylmethyl)pentane-2,3-diamine Openeye Name: (2S)-N2,N2-dibenzyl-N3-(4-methoxyphenyl)-4-nitro-1,5-diphenyl-pentane-2,3-diamine CAS Name: (2S)-N3-(4-methoxyphenyl)-4-nitro-1,5-diphenyl-N2,N2-bis(phenylmethyl)pentane-2,3-diamine IUPAC Name: (2S)-2-N,2-N-dibenzyl-3-N-(4-methoxyphenyl)-4-nitro-1,5-diphenylpentane-2,3-diamine Traditional Name: dibenzyl-[(1S)-1-benzyl-3-nitro-2-(p-anisidino)-4-phenyl-butyl]amine Formula: C38H39N3O3 MolecularWeight: 585.73456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(C(CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C(CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC([C@H](CC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)C(CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C38H39N3O3/c1-44-35-24-22-34(23-25-35)39-38(37(41(42)43)27-31-16-8-3-9-17-31)36(26-30-14-6-2-7-15-30)40(28-32-18-10-4-11-19-32)29-33-20-12-5-13-21-33/h2-25,36-39H,26-29H2,1H3/t36-,37?,38?/m0/s1