ethyl 3-[4-[[3-(4-cyano-1-propan-2-yl-piperidin-4-yl)-4-methoxy-phenyl]carbamoyl]piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[4-[[3-(4-cyano-1-propan-2-yl-piperidin-4-yl)-4-methoxy-phenyl]carbamoyl]piperazin-1-yl]benzoate Openeye Name: ethyl 3-[4-[[3-(4-cyano-1-isopropyl-4-piperidyl)-4-methoxy-phenyl]carbamoyl]piperazin-1-yl]benzoate CAS Name: 3-[4-[[3-(4-cyano-1-propan-2-yl-4-piperidinyl)-4-methoxyanilino]-oxomethyl]-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[3-(4-cyano-1-propan-2-ylpiperidin-4-yl)-4-methoxyphenyl]carbamoyl]piperazin-1-yl]benzoate Traditional Name: 3-[4-[[3-(4-cyano-1-isopropyl-4-piperidyl)-4-methoxy-phenyl]carbamoyl]piperazino]benzoic acid ethyl ester Formula: C30H39N5O4 MolecularWeight: 533.66176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)OC)C4(CCN(CC4)C(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2CCN(CC2)C(=O)NC3=CC(=C(C=C3)OC)C4(CCN(CC4)C(C)C)C#N

InChI

InChI=1S/C30H39N5O4/c1-5-39-28(36)23-7-6-8-25(19-23)34-15-17-35(18-16-34)29(37)32-24-9-10-27(38-4)26(20-24)30(21-31)11-13-33(14-12-30)22(2)3/h6-10,19-20,22H,5,11-18H2,1-4H3,(H,32,37)