5-chloranyl-2-methoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-4-(prop-2-enoylamino)benzamide

Systemtic Name: 5-chloranyl-2-methoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-4-(prop-2-enoylamino)benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(prop-2-enoylamino)benzamide CAS Name: 5-chloro-2-methoxy-4-(1-oxoprop-2-enylamino)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(prop-2-enoylamino)benzamide Traditional Name: 4-acrylamido-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxy-benzamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)CC3=CC=CC=C3)Cl)NC(=O)C=C

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N[C@H]2CCN(C2)CC3=CC=CC=C3)Cl)NC(=O)C=C

InChI

InChI=1S/C22H24ClN3O3/c1-3-21(27)25-19-12-20(29-2)17(11-18(19)23)22(28)24-16-9-10-26(14-16)13-15-7-5-4-6-8-15/h3-8,11-12,16H,1,9-10,13-14H2,2H3,(H,24,28)(H,25,27)/t16-/m0/s1