tert-butyl N-[(3R,4S)-4-(4-aminophenyl)-1-(phenylmethyl)pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R,4S)-4-(4-aminophenyl)-1-(phenylmethyl)pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3R,4S)-4-(4-aminophenyl)-1-benzyl-pyrrolidin-3-yl]carbamate CAS Name: N-[(3R,4S)-4-(4-aminophenyl)-1-(phenylmethyl)-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R,4S)-4-(4-aminophenyl)-1-benzylpyrrolidin-3-yl]carbamate Traditional Name: N-[(3R,4S)-4-(4-aminophenyl)-1-benzyl-pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(CC1C2=CC=C(C=C2)N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CN(C[C@@H]1C2=CC=C(C=C2)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-22(2,3)27-21(26)24-20-15-25(13-16-7-5-4-6-8-16)14-19(20)17-9-11-18(23)12-10-17/h4-12,19-20H,13-15,23H2,1-3H3,(H,24,26)/t19-,20+/m1/s1