methyl 4-[[6-(butoxycarbonylamino)-3-chloranyl-indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[6-(butoxycarbonylamino)-3-chloranyl-indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[6-(butoxycarbonylamino)-3-chloro-indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[6-[[butoxy(oxo)methyl]amino]-3-chloro-1-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[6-(butoxycarbonylamino)-3-chloroindol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[6-(butoxycarbonylamino)-3-chloro-indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)Cl

Isomeric SMILES

CCCCOC(=O)NC1=CC2=C(C=C1)C(=CN2CC3=C(C=C(C=C3)C(=O)OC)OC)Cl

InChI

InChI=1S/C23H25ClN2O5/c1-4-5-10-31-23(28)25-17-8-9-18-19(24)14-26(20(18)12-17)13-16-7-6-15(22(27)30-3)11-21(16)29-2/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,25,28)