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

Systemtic Name: ethyl 6,7-bis(2-hydroxyphenyl)-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-6,7-bis(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6,7-bis(2-hydroxyphenyl)-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-6,7-bis(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-6,7-bis(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C41H33N3O4 MolecularWeight: 631.71842

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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)C5=CC=CC=C5O)C6=CC(=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)C5=CC=CC=C5O)C6=CC(=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C41H33N3O4/c1-2-48-41(47)40-31(24-44-26-42-25-43-44)21-30-22-35(32-15-6-8-17-37(32)45)36(33-16-7-9-18-38(33)46)23-34(30)39(40)29-14-10-13-28(20-29)19-27-11-4-3-5-12-27/h3-18,20-23,25-26,45-46H,2,19,24H2,1H3