methyl (1R,3R)-1-azanyl-3-(4-oct-1-ynylphenyl)cyclopentane-1-carboxylate

Systemtic Name: methyl (1R,3R)-1-azanyl-3-(4-oct-1-ynylphenyl)cyclopentane-1-carboxylate Openeye Name: methyl (1R,3R)-1-amino-3-(4-oct-1-ynylphenyl)cyclopentanecarboxylate CAS Name: (1R,3R)-1-amino-3-(4-oct-1-ynylphenyl)-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3R)-1-amino-3-(4-oct-1-ynylphenyl)cyclopentane-1-carboxylate Traditional Name: (1R,3R)-1-amino-3-(4-oct-1-ynylphenyl)cyclopentanecarboxylic acid methyl ester Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C2CCC(C2)(C(=O)OC)N

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)[C@@H]2CC[C@@](C2)(C(=O)OC)N

InChI

InChI=1S/C21H29NO2/c1-3-4-5-6-7-8-9-17-10-12-18(13-11-17)19-14-15-21(22,16-19)20(23)24-2/h10-13,19H,3-7,14-16,22H2,1-2H3/t19-,21-/m1/s1