2-[4-(4-phenylbutanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-(4-phenylbutanoylamino)piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-(4-phenylbutanoylamino)-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[(1-oxo-4-phenylbutyl)amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-(4-phenylbutanoylamino)piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-(4-phenylbutanoylamino)piperidino]ethyl ester Formula: C25H32ClN3O4 MolecularWeight: 473.99228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C25H32ClN3O4/c1-32-23-17-22(27)21(26)16-20(23)25(31)33-15-14-29-12-10-19(11-13-29)28-24(30)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,16-17,19H,5,8-15,27H2,1H3,(H,28,30)