benzotriazol-1-yl 3-methyl-1-(oxan-2-ylmethyl)indole-6-carboxylate

Systemtic Name: benzotriazol-1-yl 3-methyl-1-(oxan-2-ylmethyl)indole-6-carboxylate Openeye Name: benzotriazol-1-yl 3-methyl-1-(tetrahydropyran-2-ylmethyl)indole-6-carboxylate CAS Name: 3-methyl-1-(2-oxanylmethyl)-6-indolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 3-methyl-1-(oxan-2-ylmethyl)indole-6-carboxylate Traditional Name: 3-methyl-1-(tetrahydropyran-2-ylmethyl)indole-6-carboxylic acid benzotriazol-1-yl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)C(=O)ON3C4=CC=CC=C4N=N3)CC5CCCCO5

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)C(=O)ON3C4=CC=CC=C4N=N3)CC5CCCCO5

InChI

InChI=1S/C22H22N4O3/c1-15-13-25(14-17-6-4-5-11-28-17)21-12-16(9-10-18(15)21)22(27)29-26-20-8-3-2-7-19(20)23-24-26/h2-3,7-10,12-13,17H,4-6,11,14H2,1H3