methyl 4-[[1-(cyclopentylmethylcarbamoyl)indol-1-ium-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[1-(cyclopentylmethylcarbamoyl)indol-1-ium-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-(cyclopentylmethylcarbamoyl)indol-1-ium-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[1-[(cyclopentylmethylamino)-oxomethyl]-1-indol-1-iumyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-(cyclopentylmethylcarbamoyl)indol-1-ium-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-(cyclopentylmethylcarbamoyl)indol-1-ium-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)C[N+]2(C=CC3=CC=CC=C32)C(=O)NCC4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)C[N+]2(C=CC3=CC=CC=C32)C(=O)NCC4CCCC4

InChI

InChI=1S/C25H28N2O4/c1-30-23-15-20(24(28)31-2)11-12-21(23)17-27(14-13-19-9-5-6-10-22(19)27)25(29)26-16-18-7-3-4-8-18/h5-6,9-15,18H,3-4,7-8,16-17H2,1-2H3/p+1