3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)-N-(2-dimethylaminoethyl)pyrrolidine-1-carboxamide; (E)-but-2-enedioic acid; hydrate

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)-N-(2-dimethylaminoethyl)pyrrolidine-1-carboxamide; (E)-but-2-enedioic acid; hydrate Openeye Name: 3-(2-amino-2-oxo-1,1-diphenyl-ethyl)-N-(2-dimethylaminoethyl)pyrrolidine-1-carboxamide; fumaric acid; hydrate CAS Name: 3-(2-amino-2-oxo-1,1-diphenylethyl)-N-(2-dimethylaminoethyl)-1-pyrrolidinecarboxamide; (E)-2-butenedioic acid; hydrate IUPAC Name: 3-(2-amino-2-oxo-1,1-diphenylethyl)-N-(2-dimethylaminoethyl)pyrrolidine-1-carboxamide; (E)-but-2-enedioic acid; hydrate Traditional Name: 3-(2-amino-2-keto-1,1-diphenyl-ethyl)-N-(2-dimethylaminoethyl)pyrrolidine-1-carboxamide; fumaric acid; hydrate Formula: C27H36N4O7 MolecularWeight: 528.59734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)N1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

CN(C)CCNC(=O)N1CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C23H30N4O2.C4H4O4.H2O/c1-26(2)16-14-25-22(29)27-15-13-20(17-27)23(21(24)28,18-9-5-3-6-10-18)19-11-7-4-8-12-19;5-3(6)1-2-4(7)8;/h3-12,20H,13-17H2,1-2H3,(H2,24,28)(H,25,29);1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;