ethyl 3-[1-[(6-oxidanylnaphthalen-2-yl)methyl]-4-phenyl-pyrrol-3-yl]propanoate

Systemtic Name: ethyl 3-[1-[(6-oxidanylnaphthalen-2-yl)methyl]-4-phenyl-pyrrol-3-yl]propanoate Openeye Name: ethyl 3-[1-[(6-hydroxy-2-naphthyl)methyl]-4-phenyl-pyrrol-3-yl]propanoate CAS Name: 3-[1-[(6-hydroxy-2-naphthalenyl)methyl]-4-phenyl-3-pyrrolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-[(6-hydroxynaphthalen-2-yl)methyl]-4-phenylpyrrol-3-yl]propanoate Traditional Name: 3-[1-[(6-hydroxy-2-naphthyl)methyl]-4-phenyl-pyrrol-3-yl]propionic acid ethyl ester Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN(C=C1C2=CC=CC=C2)CC3=CC4=C(C=C3)C=C(C=C4)O

Isomeric SMILES

CCOC(=O)CCC1=CN(C=C1C2=CC=CC=C2)CC3=CC4=C(C=C3)C=C(C=C4)O

InChI

InChI=1S/C26H25NO3/c1-2-30-26(29)13-11-23-17-27(18-25(23)20-6-4-3-5-7-20)16-19-8-9-22-15-24(28)12-10-21(22)14-19/h3-10,12,14-15,17-18,28H,2,11,13,16H2,1H3