2-[4-[4-(3-phenylpropylamino)butanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-[4-[4-(3-phenylpropylamino)butanoylamino]piperidin-1-yl]ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-[4-[4-(3-phenylpropylamino)butanoylamino]-1-piperidyl]ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-[4-[[1-oxo-4-(3-phenylpropylamino)butyl]amino]-1-piperidinyl]ethyl ester IUPAC Name: 2-[4-[4-(3-phenylpropylamino)butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-[4-[4-(3-phenylpropylamino)butanoylamino]piperidino]ethyl ester Formula: C28H39ClN4O4 MolecularWeight: 531.08666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCNCCCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCC(CC2)NC(=O)CCCNCCCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C28H39ClN4O4/c1-36-26-20-25(30)24(29)19-23(26)28(35)37-18-17-33-15-11-22(12-16-33)32-27(34)10-6-14-31-13-5-9-21-7-3-2-4-8-21/h2-4,7-8,19-20,22,31H,5-6,9-18,30H2,1H3,(H,32,34)