2-[[2-(3-methylbutylamino)-3-pyridin-4-yl-propanoyl]amino]-3-(4-phenylmethoxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide

Systemtic Name: 2-[[2-(3-methylbutylamino)-3-pyridin-4-yl-propanoyl]amino]-3-(4-phenylmethoxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide Openeye Name: 3-(4-benzyloxyphenyl)-2-[[2-(isopentylamino)-3-(4-pyridyl)propanoyl]amino]-N-[2-(1-piperidyl)ethyl]propanamide CAS Name: 2-[[2-(3-methylbutylamino)-1-oxo-3-pyridin-4-ylpropyl]amino]-3-(4-phenylmethoxyphenyl)-N-[2-(1-piperidinyl)ethyl]propanamide IUPAC Name: 2-[[2-(3-methylbutylamino)-3-pyridin-4-ylpropanoyl]amino]-3-(4-phenylmethoxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide Traditional Name: 3-(4-benzoxyphenyl)-2-[[2-(isoamylamino)-3-(4-pyridyl)propanoyl]amino]-N-(2-piperidinoethyl)propionamide Formula: C36H49N5O3 MolecularWeight: 599.80596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(CC1=CC=NC=C1)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NCCN4CCCCC4

Isomeric SMILES

CC(C)CCNC(CC1=CC=NC=C1)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NCCN4CCCCC4

InChI

InChI=1S/C36H49N5O3/c1-28(2)15-20-38-33(25-30-16-18-37-19-17-30)36(43)40-34(35(42)39-21-24-41-22-7-4-8-23-41)26-29-11-13-32(14-12-29)44-27-31-9-5-3-6-10-31/h3,5-6,9-14,16-19,28,33-34,38H,4,7-8,15,20-27H2,1-2H3,(H,39,42)(H,40,43)