methyl 3-(4-pyrrolidin-1-ylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate

Systemtic Name: methyl 3-(4-pyrrolidin-1-ylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Openeye Name: methyl 3-(4-pyrrolidin-1-ylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate CAS Name: 3-[4-(1-pyrrolidinyl)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-pyrrolidin-1-ylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Traditional Name: 3-(4-pyrrolidinophenyl)-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCC1)C=CC(=C2)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(CCC1)C=CC(=C2)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C23H25NO2/c1-26-23(25)20-6-4-5-17-7-8-19(15-21(17)16-20)18-9-11-22(12-10-18)24-13-2-3-14-24/h7-12,15-16H,2-6,13-14H2,1H3