4-[[[1-(isoquinolin-3-ylmethyl)-5-methyl-indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[1-(isoquinolin-3-ylmethyl)-5-methyl-indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[1-(3-isoquinolylmethyl)-5-methyl-indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[1-(3-isoquinolinylmethyl)-5-methyl-7-indolyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[1-(isoquinolin-3-ylmethyl)-5-methylindole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[1-(3-isoquinolylmethyl)-5-methyl-indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CN2CC3=CC4=CC=CC=C4C=N3)C(=O)NCC5CCC(CC5)C(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CN2CC3=CC4=CC=CC=C4C=N3)C(=O)NCC5CCC(CC5)C(=O)O

InChI

InChI=1S/C28H29N3O3/c1-18-12-22-10-11-31(17-24-14-21-4-2-3-5-23(21)16-29-24)26(22)25(13-18)27(32)30-15-19-6-8-20(9-7-19)28(33)34/h2-5,10-14,16,19-20H,6-9,15,17H2,1H3,(H,30,32)(H,33,34)