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

Systemtic Name: ethyl 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-benzyl-1-(3-bromophenyl)-6-(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-benzyl-1-(3-bromophenyl)-6-(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-benzyl-1-(3-bromophenyl)-6-(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H28BrN3O3 MolecularWeight: 618.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)CC5=CC=CC=C5)C6=CC(=CC=C6)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)CC5=CC=CC=C5)C6=CC(=CC=C6)Br

InChI

InChI=1S/C35H28BrN3O3/c1-2-42-35(41)34-27(20-39-22-37-21-38-39)16-26-18-30(29-13-6-7-14-32(29)40)25(15-23-9-4-3-5-10-23)19-31(26)33(34)24-11-8-12-28(36)17-24/h3-14,16-19,21-22,40H,2,15,20H2,1H3