methyl 4-[[5-(2-cyclopentylethanoylamino)-1-prop-2-ynyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-(2-cyclopentylethanoylamino)-1-prop-2-ynyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-[(2-cyclopentylacetyl)amino]-1-prop-2-ynyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(2-cyclopentyl-1-oxoethyl)amino]-1-prop-2-ynyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-cyclopentylacetyl)amino]-1-prop-2-ynylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-[(2-cyclopentylacetyl)amino]-1-propargyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)NC(=O)CC4CCCC4)CC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)NC(=O)CC4CCCC4)CC#C

InChI

InChI=1S/C28H30N2O4/c1-4-13-30-18-22(15-20-9-10-21(28(32)34-3)16-26(20)33-2)24-17-23(11-12-25(24)30)29-27(31)14-19-7-5-6-8-19/h1,9-12,16-19H,5-8,13-15H2,2-3H3,(H,29,31)