ethyl 7-bromanyl-1-(3-ethoxyphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-(3-ethoxyphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-bromo-1-(3-ethoxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-bromo-1-(3-ethoxyphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-bromo-1-(3-ethoxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-bromo-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H28BrN3O3 MolecularWeight: 570.47632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)CC5=CC=CC=C5)Br

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)CC5=CC=CC=C5)Br

InChI

InChI=1S/C31H28BrN3O3/c1-3-37-26-12-8-11-22(16-26)29-27-17-28(32)24(13-21-9-6-5-7-10-21)14-23(27)15-25(18-35-20-33-19-34-35)30(29)31(36)38-4-2/h5-12,14-17,19-20H,3-4,13,18H2,1-2H3