ethanedioic acid; 4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3-phenyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: ethanedioic acid; 4-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-3-phenyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-(3-isobutoxy-2-pyrrolidin-1-yl-propyl)-3-phenyl-2,3-dihydro-1,4-benzoxazine; oxalic acid CAS Name: 4-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-3-phenyl-2,3-dihydro-1,4-benzoxazine; oxalic acid IUPAC Name: 4-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenyl-2,3-dihydro-1,4-benzoxazine; oxalic acid Traditional Name: 4-(3-isobutoxy-2-pyrrolidino-propyl)-3-phenyl-2,3-dihydro-1,4-benzoxazine; oxalic acid Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN1C(COC2=CC=CC=C21)C3=CC=CC=C3)N4CCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)COCC(CN1C(COC2=CC=CC=C21)C3=CC=CC=C3)N4CCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H34N2O2.C2H2O4/c1-20(2)17-28-18-22(26-14-8-9-15-26)16-27-23-12-6-7-13-25(23)29-19-24(27)21-10-4-3-5-11-21;3-1(4)2(5)6/h3-7,10-13,20,22,24H,8-9,14-19H2,1-2H3;(H,3,4)(H,5,6)