(3Z,5Z,7Z)-azocine; [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate

Systemtic Name: (3Z,5Z,7Z)-azocine; [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate Openeye Name: (3Z,5Z,7Z)-azocine; [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate CAS Name: (3Z,5Z,7Z)-azocine; propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: (3Z,5Z,7Z)-azocine; [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate Traditional Name: (3Z,5Z,7Z)-azocine; propionic acid [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester Formula: C57H64N6O2 MolecularWeight: 865.15706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1.C1=CC=CN=CC=C1

Isomeric SMILES

CCC(=O)OC(C(CN(C)C)C)(C1=CC=CC=C1)CC2=CC=CC=C2.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1.C\1=C\C=C/N=C\C=C1

InChI

InChI=1S/C22H29NO2.5C7H7N/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;5*1-2-4-6-8-7-5-3-1/h6-15,18H,5,16-17H2,1-4H3;5*1-7H/b;5*2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7?