N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(3-methoxyphenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thienylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide CAS Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-[(3-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide Traditional Name: N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thenyl)amino]-1-m-anisoyl-pyrrolidine-2-carboxamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3CCCCC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC(CC2C(=O)NCCN)N(CC3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C27H38N4O3S/c1-34-23-10-5-9-21(15-23)27(33)31-18-22(16-25(31)26(32)29-13-12-28)30(19-24-11-6-14-35-24)17-20-7-3-2-4-8-20/h5-6,9-11,14-15,20,22,25H,2-4,7-8,12-13,16-19,28H2,1H3,(H,29,32)