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

Systemtic Name: ethyl 7-ethoxy-6-oxidanyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-hydroxy-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-7-ethoxy-6-hydroxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O4 MolecularWeight: 507.57966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1O)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O4/c1-3-37-28-17-26-24(16-27(28)35)15-25(18-34-20-32-19-33-34)30(31(36)38-4-2)29(26)23-12-8-11-22(14-23)13-21-9-6-5-7-10-21/h5-12,14-17,19-20,35H,3-4,13,18H2,1-2H3