4-[[[5-methyl-1-(quinolin-2-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[5-methyl-1-(quinolin-2-ylmethyl)indol-7-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[5-methyl-1-(2-quinolylmethyl)indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[[5-methyl-1-(2-quinolinylmethyl)-7-indolyl]-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[5-methyl-1-(quinolin-2-ylmethyl)indole-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[5-methyl-1-(2-quinolylmethyl)indole-7-carbonyl]amino]methyl]cyclohexanecarboxylic acid Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CN2CC3=NC4=CC=CC=C4C=C3)C(=O)NCC5CCC(CC5)C(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CN2CC3=NC4=CC=CC=C4C=C3)C(=O)NCC5CCC(CC5)C(=O)O

InChI

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