4-[4-(dimethylamino)-4-oxidanylidene-butyl]-3-methoxy-2-[(3-propylindol-1-yl)methyl]benzoate

Systemtic Name: 4-[4-(dimethylamino)-4-oxidanylidene-butyl]-3-methoxy-2-[(3-propylindol-1-yl)methyl]benzoate Openeye Name: 4-[4-(dimethylamino)-4-oxo-butyl]-3-methoxy-2-[(3-propylindol-1-yl)methyl]benzoate CAS Name: 4-[4-(dimethylamino)-4-oxobutyl]-3-methoxy-2-[(3-propyl-1-indolyl)methyl]benzoate IUPAC Name: 4-[4-(dimethylamino)-4-oxobutyl]-3-methoxy-2-[(3-propylindol-1-yl)methyl]benzoate Traditional Name: 4-[4-(dimethylamino)-4-keto-butyl]-3-methoxy-2-[(3-propylindol-1-yl)methyl]benzoate Formula: C26H31N2O4- MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=CC=CC=C21)CC3=C(C=CC(=C3OC)CCCC(=O)N(C)C)C(=O)[O-]

Isomeric SMILES

CCCC1=CN(C2=CC=CC=C21)CC3=C(C=CC(=C3OC)CCCC(=O)N(C)C)C(=O)[O-]

InChI

InChI=1S/C26H32N2O4/c1-5-9-19-16-28(23-12-7-6-11-20(19)23)17-22-21(26(30)31)15-14-18(25(22)32-4)10-8-13-24(29)27(2)3/h6-7,11-12,14-16H,5,8-10,13,17H2,1-4H3,(H,30,31)/p-1