(E)-but-2-enedioic acid; 4-[(diphenylmethyl)amino]-1-ethyl-pyrrolidin-3-ol

Systemtic Name: (E)-but-2-enedioic acid; 4-[(diphenylmethyl)amino]-1-ethyl-pyrrolidin-3-ol Openeye Name: 4-(benzhydrylamino)-1-ethyl-pyrrolidin-3-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(diphenylmethyl)amino]-1-ethyl-3-pyrrolidinol IUPAC Name: 4-(benzhydrylamino)-1-ethylpyrrolidin-3-ol; (E)-but-2-enedioic acid Traditional Name: 4-(benzhydrylamino)-1-ethyl-pyrrolidin-3-ol; fumaric acid Formula: C27H32N2O9 MolecularWeight: 528.55098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(C1)O)NC(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CC(C(C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N2O.2C4H4O4/c1-2-21-13-17(18(22)14-21)20-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;2*5-3(6)1-2-4(7)8/h3-12,17-20,22H,2,13-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+