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

Systemtic Name: methyl 4-[[1-(3-azanyl-3-oxidanylidene-propyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-(3-amino-3-oxo-propyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[1-(3-amino-3-oxopropyl)-5-[(cyclopentylmethylamino)-oxomethyl]-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-amino-3-oxopropyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-(3-amino-3-keto-propyl)-5-(cyclopentylmethylcarbamoyl)indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)C(=O)NCC4CCCC4)CCC(=O)N

InChI

InChI=1S/C28H33N3O5/c1-35-25-15-21(28(34)36-2)8-7-19(25)13-22-17-31(12-11-26(29)32)24-10-9-20(14-23(22)24)27(33)30-16-18-5-3-4-6-18/h7-10,14-15,17-18H,3-6,11-13,16H2,1-2H3,(H2,29,32)(H,30,33)