2-pyrrolidin-1-ylethyl 4-[2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]ethanoylamino]benzoate

Systemtic Name: 2-pyrrolidin-1-ylethyl 4-[2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]ethanoylamino]benzoate Openeye Name: 2-pyrrolidin-1-ylethyl 4-[[2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-1-piperidyl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-3-methoxy-1-piperidinyl]-1-oxoethyl]amino]benzoic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 4-[[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-piperidino]acetyl]amino]benzoic acid 2-pyrrolidinoethyl ester Formula: C29H38ClN5O6 MolecularWeight: 588.09492

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OCCN4CCCC4

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OCCN4CCCC4

InChI

InChI=1S/C29H38ClN5O6/c1-39-25-16-23(31)22(30)15-21(25)28(37)33-24-9-12-35(17-26(24)40-2)18-27(36)32-20-7-5-19(6-8-20)29(38)41-14-13-34-10-3-4-11-34/h5-8,15-16,24,26H,3-4,9-14,17-18,31H2,1-2H3,(H,32,36)(H,33,37)