ethyl 2-methyl-1-(phenylmethyl)-5-prop-2-ynoxy-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-(phenylmethyl)-5-prop-2-ynoxy-indole-3-carboxylate Openeye Name: ethyl 1-benzyl-2-methyl-5-prop-2-ynoxy-indole-3-carboxylate CAS Name: 2-methyl-1-(phenylmethyl)-5-prop-2-ynoxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-methyl-5-prop-2-ynoxyindole-3-carboxylate Traditional Name: 1-benzyl-2-methyl-5-propargyloxy-indole-3-carboxylic acid ethyl ester Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC#C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC#C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H21NO3/c1-4-13-26-18-11-12-20-19(14-18)21(22(24)25-5-2)16(3)23(20)15-17-9-7-6-8-10-17/h1,6-12,14H,5,13,15H2,2-3H3