ethanedioic acid; 1-[3-(2-methylprop-2-enyl)-3-phenyl-2H-1,4-benzoxazin-4-yl]-2-pyrrolidin-1-yl-propan-1-ol

Systemtic Name: ethanedioic acid; 1-[3-(2-methylprop-2-enyl)-3-phenyl-2H-1,4-benzoxazin-4-yl]-2-pyrrolidin-1-yl-propan-1-ol Openeye Name: 1-[3-(2-methylallyl)-3-phenyl-2H-1,4-benzoxazin-4-yl]-2-pyrrolidin-1-yl-propan-1-ol; oxalic acid CAS Name: 1-[3-(2-methylprop-2-enyl)-3-phenyl-2H-1,4-benzoxazin-4-yl]-2-(1-pyrrolidinyl)-1-propanol; oxalic acid IUPAC Name: 1-[3-(2-methylprop-2-enyl)-3-phenyl-2H-1,4-benzoxazin-4-yl]-2-pyrrolidin-1-ylpropan-1-ol; oxalic acid Traditional Name: 1-[3-(2-methylallyl)-3-phenyl-2H-1,4-benzoxazin-4-yl]-2-pyrrolidino-propan-1-ol; oxalic acid Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1C2=CC=CC=C2OCC1(CC(=C)C)C3=CC=CC=C3)O)N4CCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(N1C2=CC=CC=C2OCC1(CC(=C)C)C3=CC=CC=C3)O)N4CCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O2.C2H2O4/c1-19(2)17-25(21-11-5-4-6-12-21)18-29-23-14-8-7-13-22(23)27(25)24(28)20(3)26-15-9-10-16-26;3-1(4)2(5)6/h4-8,11-14,20,24,28H,1,9-10,15-18H2,2-3H3;(H,3,4)(H,5,6)