methyl 5-(dimethylamino)-3-methoxy-4-[(E)-4-oxidanylidenebut-1-enyl]-2-(3-propylindol-1-yl)benzoate

Systemtic Name: methyl 5-(dimethylamino)-3-methoxy-4-[(E)-4-oxidanylidenebut-1-enyl]-2-(3-propylindol-1-yl)benzoate Openeye Name: methyl 5-(dimethylamino)-3-methoxy-4-[(E)-4-oxobut-1-enyl]-2-(3-propylindol-1-yl)benzoate CAS Name: 5-(dimethylamino)-3-methoxy-4-[(E)-4-oxobut-1-enyl]-2-(3-propyl-1-indolyl)benzoic acid methyl ester IUPAC Name: methyl 5-(dimethylamino)-3-methoxy-4-[(E)-4-oxobut-1-enyl]-2-(3-propylindol-1-yl)benzoate Traditional Name: 5-(dimethylamino)-4-[(E)-4-ketobut-1-enyl]-3-methoxy-2-(3-propylindol-1-yl)benzoic acid methyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=CC=CC=C21)C3=C(C(=C(C=C3C(=O)OC)N(C)C)C=CCC=O)OC

Isomeric SMILES

CCCC1=CN(C2=CC=CC=C21)C3=C(C(=C(C=C3C(=O)OC)N(C)C)/C=C/CC=O)OC

InChI

InChI=1S/C26H30N2O4/c1-6-11-18-17-28(22-14-8-7-12-19(18)22)24-21(26(30)32-5)16-23(27(2)3)20(25(24)31-4)13-9-10-15-29/h7-9,12-17H,6,10-11H2,1-5H3/b13-9+