methyl 4-[[5-(cyclopentylmethylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[5-(cyclopentylmethylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(cyclopentylmethylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-[(cyclopentylmethylamino)-oxomethyl]-1-propyl-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[5-(cyclopentylmethylcarbamoyl)-1-propylindol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(cyclopentylmethylcarbamoyl)-1-propyl-indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)C(=O)NCC3CCCC3)CC4=C(C=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C28H34N2O4/c1-4-13-30-18-23(14-20-9-10-22(28(32)34-3)16-26(20)33-2)24-15-21(11-12-25(24)30)27(31)29-17-19-7-5-6-8-19/h9-12,15-16,18-19H,4-8,13-14,17H2,1-3H3,(H,29,31)