(1-prop-2-ynylindol-3-yl)methyl 5-(2-cyclopentylethanoylamino)-3-methoxy-2-methyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)OCC2=CN(C3=CC=CC=C32)CC#C)NC(=O)CC4CCCC4)OC

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OCC2=CN(C3=CC=CC=C32)CC#C)NC(=O)CC4CCCC4)OC

InChI

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