3-cyclohexyl-1-[(E)-3-(dimethylamino)prop-2-enyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[(E)-3-(dimethylamino)prop-2-enyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[(E)-3-(dimethylamino)allyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[(E)-3-(dimethylamino)prop-2-enyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[(E)-3-(dimethylamino)prop-2-enyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[(E)-3-(dimethylamino)allyl]-2-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)indole-6-carboxylic acid Formula: C30H37N3O2 MolecularWeight: 471.63368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)C3=C(C4=C(N3CC=CN(C)C)C=C(C=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)C3=C(C4=C(N3C/C=C/N(C)C)C=C(C=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C30H37N3O2/c1-31(2)15-7-16-33-27-19-24(30(34)35)12-13-26(27)28(22-8-5-4-6-9-22)29(33)23-11-10-21-14-17-32(3)20-25(21)18-23/h7,10-13,15,18-19,22H,4-6,8-9,14,16-17,20H2,1-3H3,(H,34,35)/b15-7+