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

Systemtic Name: ethyl 1-(3-bromophenyl)-6-methoxy-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-benzyl-1-(3-bromophenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-6-methoxy-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-benzyl-1-(3-bromophenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-benzyl-1-(3-bromophenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H26BrN3O3 MolecularWeight: 556.44974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)CC4=CC=CC=C4)OC)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)Br)CC4=CC=CC=C4)OC)CN5C=NC=N5

InChI

InChI=1S/C30H26BrN3O3/c1-3-37-30(35)29-24(17-34-19-32-18-33-34)13-22-16-27(36-2)23(12-20-8-5-4-6-9-20)15-26(22)28(29)21-10-7-11-25(31)14-21/h4-11,13-16,18-19H,3,12,17H2,1-2H3