3-methyl-2-(1-phenylpyrrol-2-yl)-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate

Systemtic Name: 3-methyl-2-(1-phenylpyrrol-2-yl)-3H-isoindol-1-one; O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate Openeye Name: 3-methyl-2-(1-phenylpyrrol-2-yl)isoindolin-1-one; O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 3-methyl-2-(1-phenyl-2-pyrrolyl)-3H-isoindol-1-one IUPAC Name: 3-methyl-2-(1-phenylpyrrol-2-yl)-3H-isoindol-1-one; 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester; 3-methyl-2-(1-phenylpyrrol-2-yl)isoindolin-1-one Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(=O)N1C3=CC=CN3C4=CC=CC=C4.COC(=O)C=CC(=O)OC1CCNCC1

Isomeric SMILES

CC1C2=CC=CC=C2C(=O)N1C3=CC=CN3C4=CC=CC=C4.COC(=O)/C=C/C(=O)OC1CCNCC1

InChI

InChI=1S/C19H16N2O.C10H15NO4/c1-14-16-10-5-6-11-17(16)19(22)21(14)18-12-7-13-20(18)15-8-3-2-4-9-15;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h2-14H,1H3;2-3,8,11H,4-7H2,1H3/b;3-2+