ethyl 6-methoxy-7-oxidanyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6-methoxy-7-oxidanyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-7-hydroxy-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-hydroxy-6-methoxy-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-7-hydroxy-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-7-hydroxy-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H27N3O4 MolecularWeight: 493.55308

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)CC4=CC=CC=C4)O)OC)CN5C=NC=N5

Isomeric SMILES

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

InChI

InChI=1S/C30H27N3O4/c1-3-37-30(35)29-24(17-33-19-31-18-32-33)14-23-15-27(36-2)26(34)16-25(23)28(29)22-11-7-10-21(13-22)12-20-8-5-4-6-9-20/h4-11,13-16,18-19,34H,3,12,17H2,1-2H3