methyl 2-[methyl-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]amino]benzoate Openeye Name: methyl 2-[methyl-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoyl]amino]benzoate CAS Name: 2-[methyl-[4-[5-methyl-2-(2-pyridinyl)-1H-indol-3-yl]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanoyl]amino]benzoate Traditional Name: 2-[methyl-[4-[5-methyl-2-(2-pyridyl)-1H-indol-3-yl]butanoyl]amino]benzoic acid methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N(C)C3=CC=CC=C3C(=O)OC)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCCC(=O)N(C)C3=CC=CC=C3C(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C27H27N3O3/c1-18-14-15-22-21(17-18)19(26(29-22)23-11-6-7-16-28-23)10-8-13-25(31)30(2)24-12-5-4-9-20(24)27(32)33-3/h4-7,9,11-12,14-17,29H,8,10,13H2,1-3H3