3-ethoxy-1-naphthalen-1-yl-4-[(E)-3-[1-(triphenylmethyl)imidazol-4-yl]prop-2-enyl]pyrrole-2-carboxylic acid

Systemtic Name: 3-ethoxy-1-naphthalen-1-yl-4-[(E)-3-[1-(triphenylmethyl)imidazol-4-yl]prop-2-enyl]pyrrole-2-carboxylic acid Openeye Name: 3-ethoxy-1-(1-naphthyl)-4-[(E)-3-(1-tritylimidazol-4-yl)allyl]pyrrole-2-carboxylic acid CAS Name: 3-ethoxy-1-(1-naphthalenyl)-4-[(E)-3-[1-(triphenylmethyl)-4-imidazolyl]prop-2-enyl]-2-pyrrolecarboxylic acid IUPAC Name: 3-ethoxy-1-naphthalen-1-yl-4-[(E)-3-(1-tritylimidazol-4-yl)prop-2-enyl]pyrrole-2-carboxylic acid Traditional Name: 3-ethoxy-1-(1-naphthyl)-4-[(E)-3-(1-tritylimidazol-4-yl)allyl]pyrrole-2-carboxylic acid Formula: C42H35N3O3 MolecularWeight: 629.7456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N(C=C1CC=CC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76)C(=O)O

Isomeric SMILES

CCOC1=C(N(C=C1C/C=C/C2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76)C(=O)O

InChI

InChI=1S/C42H35N3O3/c1-2-48-40-32(28-45(39(40)41(46)47)38-27-15-17-31-16-12-13-26-37(31)38)18-14-25-36-29-44(30-43-36)42(33-19-6-3-7-20-33,34-21-8-4-9-22-34)35-23-10-5-11-24-35/h3-17,19-30H,2,18H2,1H3,(H,46,47)/b25-14+