2-phenylethanamine; 2-phenylethanoic acid; 4-propoxybenzaldehyde

Systemtic Name: 2-phenylethanamine; 2-phenylethanoic acid; 4-propoxybenzaldehyde Openeye Name: 2-phenylacetic acid; 2-phenylethanamine; 4-propoxybenzaldehyde CAS Name: 2-phenylacetic acid; 2-phenylethanamine; 4-propoxybenzaldehyde IUPAC Name: 2-phenylacetic acid; 2-phenylethanamine; 4-propoxybenzaldehyde Traditional Name: phenethylamine; 2-phenylacetic acid; 4-propoxybenzaldehyde Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C10H12O2.C8H11N.C8H8O2/c1-2-7-12-10-5-3-9(8-11)4-6-10;9-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7/h3-6,8H,2,7H2,1H3;1-5H,6-7,9H2;1-5H,6H2,(H,9,10)