ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-naphthalen-1-yl-indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-naphthalen-1-yl-indole-2-carboxylate Openeye Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(1-naphthyl)indole-2-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(1-naphthalenyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-naphthalen-1-ylindole-2-carboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(1-naphthyl)indole-2-carboxylic acid ethyl ester Formula: C29H22ClNO4 MolecularWeight: 483.94228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3Cl)OCO4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC4=C(C=C3Cl)OCO4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C29H22ClNO4/c1-2-33-29(32)28-27(21-12-7-9-18-8-3-4-10-20(18)21)22-11-5-6-13-24(22)31(28)16-19-14-25-26(15-23(19)30)35-17-34-25/h3-15H,2,16-17H2,1H3