pentanoyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

Systemtic Name: pentanoyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Openeye Name: pentanoyloxymethyl 3-(4-pyridylamino)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-1H-indole-2-carboxylic acid 1-oxopentoxymethyl ester IUPAC Name: pentanoyloxymethyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-1H-indole-2-carboxylic acid valeryloxymethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCOC(=O)C1=C(C2=CC=CC=C2N1)NC3=CC=NC=C3

Isomeric SMILES

CCCCC(=O)OCOC(=O)C1=C(C2=CC=CC=C2N1)NC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O4/c1-2-3-8-17(24)26-13-27-20(25)19-18(22-14-9-11-21-12-10-14)15-6-4-5-7-16(15)23-19/h4-7,9-12,23H,2-3,8,13H2,1H3,(H,21,22)