3-azanylidene-6-(dimethylamino)-2-[2-[3-(dimethylamino)-4-methoxy-5-prop-1-en-2-yl-phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid

Systemtic Name: 3-azanylidene-6-(dimethylamino)-2-[2-[3-(dimethylamino)-4-methoxy-5-prop-1-en-2-yl-phenyl]-2-oxidanylidene-ethyl]-1H-isoindole-5-carboxylic acid Openeye Name: 6-(dimethylamino)-2-[2-[3-(dimethylamino)-5-isopropenyl-4-methoxy-phenyl]-2-oxo-ethyl]-3-imino-isoindoline-5-carboxylic acid CAS Name: 6-(dimethylamino)-2-[2-[3-(dimethylamino)-4-methoxy-5-(1-methylethenyl)phenyl]-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid IUPAC Name: 6-(dimethylamino)-2-[2-[3-(dimethylamino)-4-methoxy-5-prop-1-en-2-ylphenyl]-2-oxoethyl]-3-imino-1H-isoindole-5-carboxylic acid Traditional Name: 6-(dimethylamino)-2-[2-[3-(dimethylamino)-5-isopropenyl-4-methoxy-phenyl]-2-keto-ethyl]-3-imino-isoindoline-5-carboxylic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)N(C)C)N(C)C)OC

Isomeric SMILES

CC(=C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C=C3C2=N)C(=O)O)N(C)C)N(C)C)OC

InChI

InChI=1S/C25H30N4O4/c1-14(2)17-8-15(9-21(28(5)6)23(17)33-7)22(30)13-29-12-16-10-20(27(3)4)19(25(31)32)11-18(16)24(29)26/h8-11,26H,1,12-13H2,2-7H3,(H,31,32)