ethyl 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylate

Systemtic Name: ethyl 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylate Openeye Name: ethyl 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylate CAS Name: 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclopropylmethylamino)-3-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]indole-2-carboxylate Traditional Name: 5-(cyclopropylmethylamino)-1-(4-fluorobenzyl)-3-p-phenetyl-indole-2-carboxylic acid ethyl ester Formula: C30H31FN2O3 MolecularWeight: 486.577143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)NCC4CC4)CC5=CC=C(C=C5)F)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)NCC4CC4)CC5=CC=C(C=C5)F)C(=O)OCC

InChI

InChI=1S/C30H31FN2O3/c1-3-35-25-14-9-22(10-15-25)28-26-17-24(32-18-20-5-6-20)13-16-27(26)33(29(28)30(34)36-4-2)19-21-7-11-23(31)12-8-21/h7-17,20,32H,3-6,18-19H2,1-2H3