methyl 4-[[1-[(3-cyanophenyl)methyl]-5-(2-cyclopentylethanoylamino)indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[1-[(3-cyanophenyl)methyl]-5-(2-cyclopentylethanoylamino)indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentyl-1-oxoethyl)amino]-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-[(3-cyanophenyl)methyl]-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-(3-cyanobenzyl)-5-[(2-cyclopentylacetyl)amino]indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C33H33N3O4 MolecularWeight: 535.63282

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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)NC(=O)CC4CCCC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)NC(=O)CC4CCCC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C33H33N3O4/c1-39-31-17-26(33(38)40-2)11-10-25(31)16-27-21-36(20-24-9-5-8-23(14-24)19-34)30-13-12-28(18-29(27)30)35-32(37)15-22-6-3-4-7-22/h5,8-14,17-18,21-22H,3-4,6-7,15-16,20H2,1-2H3,(H,35,37)