(1-propan-2-ylindol-3-yl)methyl 4-(dimethylamino)-3-methoxy-2-[(E)-4-oxidanylidenebut-1-enyl]benzoate

Systemtic Name: (1-propan-2-ylindol-3-yl)methyl 4-(dimethylamino)-3-methoxy-2-[(E)-4-oxidanylidenebut-1-enyl]benzoate Openeye Name: (1-isopropylindol-3-yl)methyl 4-(dimethylamino)-3-methoxy-2-[(E)-4-oxobut-1-enyl]benzoate CAS Name: 4-(dimethylamino)-3-methoxy-2-[(E)-4-oxobut-1-enyl]benzoic acid (1-propan-2-yl-3-indolyl)methyl ester IUPAC Name: (1-propan-2-ylindol-3-yl)methyl 4-(dimethylamino)-3-methoxy-2-[(E)-4-oxobut-1-enyl]benzoate Traditional Name: 4-(dimethylamino)-2-[(E)-4-ketobut-1-enyl]-3-methoxy-benzoic acid (1-isopropylindol-3-yl)methyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=CC=CC=C21)COC(=O)C3=C(C(=C(C=C3)N(C)C)OC)C=CCC=O

Isomeric SMILES

CC(C)N1C=C(C2=CC=CC=C21)COC(=O)C3=C(C(=C(C=C3)N(C)C)OC)/C=C/CC=O

InChI

InChI=1S/C26H30N2O4/c1-18(2)28-16-19(20-10-6-7-12-23(20)28)17-32-26(30)22-13-14-24(27(3)4)25(31-5)21(22)11-8-9-15-29/h6-8,10-16,18H,9,17H2,1-5H3/b11-8+